Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK9 | P45984 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1895209 | 0.86 | CYP2C19 (0.57) | MAPK9CYP2C19ALDH1A1CYP1A2HTT | |
| SCHEMBL109226 | 0.86 | CYP2C19 (0.57) | MAPK9CYP2C19ALDH1A1CYP1A2HTT | |
| SCHEMBL12094206 | 0.79 | CYP2C19 (0.54) | MAPK9CYP2C19ALDH1A1CYP1A2HTT | |
| SCHEMBL12526245 | 0.78 | CYP2C19 (0.50) | MAPK9CYP2C19ALDH1A1CYP1A2HTT | |
| SCHEMBL8927381 | 0.78 | MAPT (0.53) | MAPK9CYP2C19ALDH1A1CYP1A2HTT | |
| SCHEMBL27734515 | 0.78 | CYP2C19 (0.53) | MAPK9CYP2C19ALDH1A1CYP1A2HTT | |
| SCHEMBL27941669 | 0.77 | CYP2C19 (0.53) | MAPK9CYP2C19ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL14183799 | 0.75 | QDPR (0.54) | MAPK9CYP2C19ALDH1A1CYP1A2HTT | |
| SCHEMBL19868756 | 0.75 | MAPK9 (0.46) | MAPK9CYP2C19ALDH1A1CYP1A2HTT | |
| SCHEMBL19868760 | 0.75 | CYP2C19 (0.48) | MAPK9CYP2C19ALDH1A1CYP1A2HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5658941-A | PSYCHOLOGICAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-08-19 | — | — | US | disclosed |
| US-5496847-A | ANXIOLYTIC AND ANTIDEPRESSANT | BRISTOL-MYERS SQUIBB CO. (US) | 1996-03-05 | — | — | US | disclosed |