Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | LPL | P06858 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3406402 | 0.81 | CA2 (0.35) | CYP2A6CA2SMN1; SMN2TAAR1TP53 | |
| SCHEMBL5392162 | 0.74 | ORAI1 (0.38) | HTR6 | |
| SCHEMBL10998534 | 0.68 | LPL (0.37) | HTR6LPLLIPGNPC1RAB9A | |
| SCHEMBL27756675 | 0.67 | TP53 (0.62) | CYP2A6CA2SMN1; SMN2TAAR1TP53 | |
| Ethylbenzene SCHEMBL1782122 | 0.65 | TP53 (0.70) | CYP2A6TP53HTR6ALDH1A1KDM4E | |
| SCHEMBL36295 | 0.64 | TP53 (0.67) | CYP2A6CA2SMN1; SMN2TAAR1TP53 | |
| SCHEMBL6518861 | 0.64 | LPL (0.48) | CYP2A6CA2SMN1; SMN2TAAR1TP53 | |
| SCHEMBL6357142 | 0.62 | CHRNB2 (0.41) | CYP2A6NISCHALDH1A1 | |
| SCHEMBL11000922 | 0.62 | HTR2C (0.42) | TP53HTR6ALDH1A1 | |
| SCHEMBL25133603 | 0.62 | GBA1 (0.66) | HTR6EP300 |
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-4559403-A | FOR TREATMENT OF CEREBRAL AND CARDIAC ISCHEMIAS | HOFFMANN-LA ROCHE INC. (US) | 1985-12-17 | — | — | US | disclosed |
| US-4544657-A | ANTISCHEMIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1985-10-01 | — | — | US | disclosed |