Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27517016 | 0.86 | CYP2A6 (0.48) | CYP2A6TNFSCN9AATRMAPT | |
| SCHEMBL19756685 | 0.82 | ATR (0.46) | CYP2A6TNFATRMAPTALDH1A1 | |
| SCHEMBL12938612 | 0.79 | CYP2A6 (0.43) | CYP2A6SCN9AATR | |
| SCHEMBL23555392 | 0.78 | CYP2A6 (0.42) | CYP2A6ATRSMN1; SMN2NPC1RAB9A | |
| SCHEMBL29702997 | 0.78 | CYP17A1 (0.43) | CYP2A6MAPK14MAPTCYP17A1 | |
| SCHEMBL28274298 | 0.78 | CYP2A6 (0.42) | CYP2A6ATR | |
| SCHEMBL391089 | 0.77 | RORB (0.46) | CYP2A6MAPK14SCN9APDE10AATR | |
| SCHEMBL23555711 | 0.76 | CYP2A6 (0.41) | CYP2A6ATRSMN1; SMN2NPC1RAB9A | |
| SCHEMBL21295674 | 0.75 | MAPK14 (0.39) | MAPK14PIK3CDMAPTSMN1; SMN2NPC1 | |
| SCHEMBL14830903 | 0.75 | CYP17A1 (0.53) | CYP17A1CYP1A2 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8114872-B2 | Triazolyl aminopyrimidine compounds | ELI LILLY AND COMPANY (US) | 2012-02-14 | — | — | US | disclosed |
| US-8101628-B2 | Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer | ELI LILLY AND COMPANY (US) | 2012-01-24 | — | — | US | disclosed |
| US-7973051-B2 | Aminothiazoles as FBPase inhibitors for diabetes | HOFFMAN-LA ROCHE INC. (US) | 2011-07-05 | — | — | US | disclosed |
| EP-2227468-A1 | AMINOTHIAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-15 | — | — | EP | disclosed |
| EP-2125793-B1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | LILLY CO ELI (US) | 2010-09-01 | — | — | EP | disclosed |
| US-20100130466-A1 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY | 2010-05-27 | — | — | US | disclosed |
| US-20100076001-A1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | ELI LILLY AND COMPANY | 2010-03-25 | — | — | US | disclosed |
| US-20090143448-A1 | NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-04 | — | — | US | disclosed |
| WO-2009068467-A1 | AMINOTHIAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-04 | — | — | WO | disclosed |
| US-20090042895-A1 | Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans | WYETH (US) | 2009-02-12 | — | — | US | disclosed |
| US-20090042895-A1 | Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans | WYETH (US) | 2009-02-12 | — | — | US | disclosed |
| US-20090042895-A1 | Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans | WYETH (US) | 2009-02-12 | — | — | US | disclosed |
| US-7479500-B2 | Antidepressant piperidine derivatives of heterocyclefused benzodioxans | WYETH (US) | 2009-01-20 | — | — | US | disclosed |
| US-7479500-B2 | Antidepressant piperidine derivatives of heterocyclefused benzodioxans | WYETH (US) | 2009-01-20 | — | — | US | disclosed |
| US-7479500-B2 | Antidepressant piperidine derivatives of heterocyclefused benzodioxans | WYETH (US) | 2009-01-20 | — | — | US | disclosed |
| US-20050228009-A1 | Antidepressant piperidine derivatives of heterocyclefused benzodioxans | WYETH (US) | 2005-10-13 | — | — | US | disclosed |
| US-6939877-B2 | Antidepressant piperidine derivatives of heterocycle-fused benzodioxans | WYETH (US) | 2005-09-06 | — | — | US | disclosed |
| EP-1537120-A1 | ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS | Wyeth, A Corporation of the State of Delaware (US) | 2005-06-08 | — | — | EP | disclosed |
| US-20040147523-A1 | Antidepressant piperidine derivatives of heterocycle-fused benzodioxans | WYETH | 2004-07-29 | — | — | US | disclosed |
| WO-2004024733-A1 | ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS | WYETH (US) | 2004-03-25 | — | — | 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 (6 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-20100076001-A1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | PLK1, BUB1B, BUB1 | CYP2A6 4648/4885MAPK14 1470/4885TNF 4787/4885 |
| US-20050228009-A1 | Antidepressant piperidine derivatives of heterocyclefused benzodioxans | HTR5A, OPRD1, DRD2 | CYP2A6 1044/4885MAPK14 2795/4885TNF 3215/4885 |
| US-20090143448-A1 | NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES | FBP1, SLC5A1, DPP4 | CYP2A6 1152/4885MAPK14 2691/4885TNF 4848/4885 |
| US-20040147523-A1 | Antidepressant piperidine derivatives of heterocycle-fused benzodioxans | HTR5A, OPRD1, CRH | CYP2A6 1659/4885MAPK14 2829/4885TNF 3474/4885 |
| US-20100130466-A1 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | DPYD, TP53, TYMP | CYP2A6 1744/4885MAPK14 3604/4885TNF 4808/4885 |
| US-20090042895-A1 | Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans | HTR5A, OPRD1, CRH | CYP2A6 1708/4885MAPK14 2849/4885TNF 3700/4885 |
“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.