Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.54 |
| ▸ | GAA | P10253 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | GLA | P06280 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3784898 | 0.82 | KDM4E (0.48) | MAPK1ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL6311086 | 0.79 | PTGS1 (0.49) | ALDH1A1KDM4EGAAHPGDGLA | |
| SCHEMBL5775614 | 0.78 | PTGS1 (0.44) | ALDH1A1KDM4EGAAHPGDGLA | |
| SCHEMBL1310923 | 0.76 | KDM4E (0.47) | MAPK1ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL7477457 | 0.76 | TSHR (0.51) | ALDH1A1KDM4EGAAHPGDGLA | |
| SCHEMBL3790215 | 0.76 | PIM1 (0.50) | ALDH1A1KDM4EGAAHPGDGLA | |
| SCHEMBL3792862 | 0.75 | KDM4E (0.42) | ALDH1A1KDM4EGAAHPGDGLA | |
| SCHEMBL7485367 | 0.75 | TSHR (0.50) | ALDH1A1KDM4EGAAHPGDGLA | |
| SCHEMBL872190 | 0.74 | PTGS1 (0.68) | MAPK1ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL2829842 | 0.74 | MAPK1 (1.00) | MAPK1ALDH1A1KDM4EGAAHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1200433-B1 | C-6 RING-SUBSTITUTED PYRIDO[1,2-a]BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1200433-A1 | C-6 RING-SUBSTITUTED PYRIDO 1,2- i a /i ]BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-05-02 | — | — | EP | disclosed |
| US-6358946-B1 | ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS, ANTICONVULSANTS, AND HYPNOSIS AGENTS; SLEEP DISORDER TREATMENT | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-03-19 | — | — | US | disclosed |
| WO-2001009132-A1 | C-6 RING-SUBSTITUTED PYRIDO[1,2-a]BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-02-08 | — | — | WO | disclosed |