Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31126239 | 1.00 | CES2 (0.43) | CES2CES1SOS1MAOBMAOA | |
| SCHEMBL23819693 | 0.84 | CHRNA3 (0.50) | CHRNA3MAPTKMT2A | |
| SCHEMBL18697358 | 0.83 | CES2 (0.46) | CES2CES1SOS1MAOBMAOA | |
| SCHEMBL4780465 | 0.82 | HTR2A (0.39) | NPC1RAB9AMAPTSMN1; SMN2HTT | |
| SCHEMBL3879835 | 0.82 | MRGPRX4 (0.44) | FFAR4NPC1RAB9AMAPTHTT | |
| SCHEMBL18272392 | 0.81 | CES2 (0.45) | CES2CES1SOS1MAOBMAOA | |
| SCHEMBL31621879 | 0.79 | LMNA (0.52) | MAOBMAOAMAPTSMN1; SMN2GAA | |
| SCHEMBL5265818 | 0.79 | MEN1 (0.57) | CES2CES1SOS1MAOBMAOA | |
| SCHEMBL30063441 | 0.79 | MEN1 (0.57) | CES2CES1SOS1MAOBMAOA | |
| SCHEMBL19943284 | 0.79 | MAOB (0.38) | CES2CES1SOS1MAOBMAOA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8222228-B2 | Substituted aryl piperidinylalkynyladenosines as A2AR agonists | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2012-07-17 | — | — | US | disclosed |
| US-8222228-B2 | Substituted aryl piperidinylalkynyladenosines as A2AR agonists | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2012-07-17 | — | — | US | disclosed |
| US-8168647-B2 | Vinblastine derivatives, their preparation, use and pharmaceutical compositions comprising the said derivatives | SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) | 2012-05-01 | — | — | US | disclosed |
| US-8168647-B2 | Vinblastine derivatives, their preparation, use and pharmaceutical compositions comprising the said derivatives | SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) | 2012-05-01 | — | — | US | disclosed |
| US-20110091385-A1 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | PGXHEALTH, LLC (US) | 2011-04-21 | — | — | US | disclosed |
| US-20110091385-A1 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | PGXHEALTH, LLC (US) | 2011-04-21 | — | — | US | disclosed |
| US-7888329-B2 | Substituted aryl piperidinylalkynyladenosines as A2AR agonists | PGXHEALTH, LLC (US) | 2011-02-15 | — | — | US | disclosed |
| US-7888329-B2 | Substituted aryl piperidinylalkynyladenosines as A2AR agonists | PGXHEALTH, LLC (US) | 2011-02-15 | — | — | US | disclosed |
| US-20100113498-A1 | NOVEL VINBLASTINE DERIVATIVES, THEIR PREPARATION, USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAID DERIVATIVES | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2010-05-06 | — | — | US | disclosed |
| US-20100113498-A1 | NOVEL VINBLASTINE DERIVATIVES, THEIR PREPARATION, USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAID DERIVATIVES | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2010-05-06 | — | — | US | disclosed |
| US-7276511-B2 | Benzylamine derivative | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2007-10-02 | — | — | US | disclosed |
| US-7276511-B2 | Benzylamine derivative | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2007-10-02 | — | — | US | disclosed |
| US-7276511-B2 | Benzylamine derivative | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2007-10-02 | — | — | US | disclosed |
| US-20060194841-A1 | E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2006-08-31 | — | — | US | disclosed |
| EP-1650189-A1 | BENZYLAMINE DERIVATIVE | Zeria Pharmaceutical Co., Ltd. (JP) | 2006-04-26 | — | — | EP | disclosed |
| US-20050176766-A1 | 2,3-Oxidosqualene-lanosterol cyclase inhibitors | ACKERMANN JEAN (CH) | 2005-08-11 | — | — | US | disclosed |
| US-6858651-B2 | 2,3-oxidosqualene-lanosterol cyclase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2005-02-22 | — | — | US | disclosed |
| EP-1311475-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-21 | — | — | EP | disclosed |
| US-20020045777-A1 | 2,3-oxidosqualene-lanosterol cyclase inhibitors | F.HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | US | disclosed |
| WO-2002014267-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100113498-A1 | NOVEL VINBLASTINE DERIVATIVES, THEIR PREPARATION, USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAID DERIVATIVES | MCL1, BAX, BAD | CES2 3964/4885CES1 4169/4885SOS1 3149/4885 |
| US-20110091385-A1 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | ADORA2A, ADORA1, ADORA3 | CES2 762/4885CES1 1661/4885SOS1 4602/4885 |
| US-20060194841-A1 | E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting | KCNAB1, BDKRB2, ARRB1 | CES2 3617/4885CES1 1236/4885SOS1 3680/4885 |
| US-20050176766-A1 | 2,3-Oxidosqualene-lanosterol cyclase inhibitors | CYP51A1, LSS, CYP46A1 | CES2 930/4885CES1 37/4885SOS1 325/4885 |
| US-20020045777-A1 | 2,3-oxidosqualene-lanosterol cyclase inhibitors | CYP51A1, LSS, CYP46A1 | CES2 930/4885CES1 37/4885SOS1 325/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.