Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ATP6V1B1 | P15313 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7430866 | 1.00 | CYP2A6 (0.54) | CYP2A6MAPTKDM4EDAOHPGD | |
| SCHEMBL11060954 | 0.78 | CYP2A6 (0.47) | CYP2A6MAPTKDM4EDAOHPGD | |
| SCHEMBL11060962 | 0.78 | CYP2A6 (0.47) | CYP2A6MAPTKDM4EDAOHPGD | |
| SCHEMBL9361415 | 0.77 | CYP2A6 (0.50) | CYP2A6MAPTKDM4EDAOHPGD | |
| SCHEMBL2206070 | 0.77 | CYP2A6 (0.50) | CYP2A6MAPTKDM4EDAOHPGD | |
| SCHEMBL9361419 | 0.77 | CYP2A6 (0.50) | CYP2A6MAPTKDM4EDAOHPGD | |
| SCHEMBL2206073 | 0.77 | CYP2A6 (0.50) | CYP2A6MAPTKDM4EDAOHPGD | |
| SCHEMBL2931939 | 0.77 | ATP6V1B1 (0.60) | CYP2A6MAPTKDM4EDAOHPGD | |
| SCHEMBL11745684 | 0.77 | CYP2A6 (0.46) | CYP2A6MAPTKDM4EDAOHPGD | |
| SCHEMBL1854306 | 0.76 | CYP2A6 (0.61) | CYP2A6MAPTKDM4EDAOHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5554767-A | NERVOUS SYSTEM, CARDIOVASCULAR, AND BRAIN DISORDERS | WARNER-LAMBERT COMPANY (US) | 1996-09-10 | — | — | US | claimed |
| US-5760048-A | TREATMENT OF STROKE AND NERVOUS SYSTEM DISORDERS | WARNER-LAMBERT COMPANY (US) | 1998-06-02 | — | — | US | disclosed |
| US-5554767-A | NERVOUS SYSTEM, CARDIOVASCULAR, AND BRAIN DISORDERS | WARNER-LAMBERT COMPANY (US) | 1996-09-10 | — | — | US | disclosed |