Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.65 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | GCGR | P47871 | 2/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12489603 | 0.82 | ALDH1A1 (0.83) | ALDH1A1MAPK1MAPTLMNATP53 | |
| SCHEMBL4032281 | 0.82 | NOTUM (0.63) | ALDH1A1MAPK1NOTUMMAPK14MAPT | |
| SCHEMBL30708901 | 0.82 | NOTUM (0.63) | ALDH1A1MAPK1NOTUMMAPK14MAPT | |
| SCHEMBL12853983 | 0.79 | NOTUM (0.60) | ALDH1A1MAPK1NOTUMMAPK14MAPT | |
| SCHEMBL115115 | 0.79 | ALDH1A1 (1.00) | ALDH1A1MAPK1MAPTLMNATP53 | |
| SCHEMBL1947212 | 0.79 | NOTUM (0.60) | ALDH1A1MAPK1NOTUMMAPK14MAPT | |
| SCHEMBL30451936 | 0.79 | ALDH1A1 (1.00) | ALDH1A1MAPK1MAPTLMNATP53 | |
| Bromide SCHEMBL20502184 | 0.77 | NOTUM (0.57) | ALDH1A1MAPK1NOTUMMAPK14MAPT | |
| SCHEMBL11217649 | 0.77 | NOTUM (0.74) | ALDH1A1MAPK1NOTUMMAPK14MAPK11 | |
| Water SCHEMBL2802174 | 0.77 | ALDH1A1 (0.94) | ALDH1A1MAPK1MAPTLMNATP53 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007117482-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | claimed |
| CN-105238389-B | A kind of new Organic Electro Luminescent Materials and its application | 中节能万润股份有限公司 | 2017-09-19 | — | — | CN | disclosed |
| CN-105238389-A | Novel organic electroluminescent material and use thereof | CECEP VALIANT CO LTD | 2016-01-13 | — | — | CN | disclosed |
| EP-1773775-B1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-08-17 | — | — | EP | disclosed |
| US-20100130471-A1 | Renin Inhibitors | SMITHKLINE BEECHAM CORPORATION | 2010-05-27 | — | — | US | disclosed |
| US-20090275581-A1 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. | 2009-11-05 | — | — | US | disclosed |
| US-20090264428-A1 | Renin Inhibitors | VITAE PHARMACEUTICALS, INC. | 2009-10-22 | — | — | US | disclosed |
| EP-2010488-A2 | RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2009-01-07 | — | — | EP | disclosed |
| WO-2008124582-A1 | RENIN INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-16 | — | — | WO | disclosed |
| US-7429604-B2 | Six-membered heterocycles useful as serine protease inhibitors | BRISTOL MYERS SQUIBB COMPANY (US) | 2008-09-30 | — | — | US | disclosed |
| WO-2007117559-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |
| WO-2007117482-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |
| EP-1773775-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-04-18 | — | — | EP | disclosed |
| US-20060009455-A1 | especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-12 | — | — | US | disclosed |
| WO-2005123680-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-29 | — | — | WO | disclosed |
| US-4554352-A | Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid | ETHYL CORPORATION (US) | 1985-11-19 | — | — | US | disclosed |
| US-4554352-A | Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid | ETHYL CORPORATION (US) | 1985-11-19 | — | — | US | 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 (4 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-20060009455-A1 | especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; | F12, F11, F2 | ALDH1A1 4211/4885MAPK1 1393/4885NOTUM 1605/4885 |
| US-20090275581-A1 | RENIN INHIBITORS | REN, ACE, SERPINB1 | ALDH1A1 1084/4885MAPK1 1494/4885NOTUM 494/4885 |
| US-20090264428-A1 | Renin Inhibitors | REN, ACE, SERPINB1 | ALDH1A1 1060/4885MAPK1 2221/4885NOTUM 497/4885 |
| US-20100130471-A1 | Renin Inhibitors | ACE, REN, DNPEP | ALDH1A1 2221/4885MAPK1 3244/4885NOTUM 883/4885 |
“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.