Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 8/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23539469 | 0.82 | BRD4 (0.53) | DRD2ATMMAPTFAAHBRD4 | |
| SCHEMBL14638478 | 0.81 | DRD1 (0.41) | DRD1CYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL14637319 | 0.80 | ALDH1A1 (0.48) | CYP1A2CYP2C9CYP2C19VCPALDH1A1 | |
| SCHEMBL9954823 | 0.75 | FAAH (0.43) | NPC1RAB9AATMALDH1A1HPGD | |
| SCHEMBL30041505 | 0.74 | NPC1 (0.54) | NPC1RAB9AATMALDH1A1MAPT | |
| SCHEMBL23539358 | 0.74 | NPC1 (0.54) | NPC1RAB9AATMALDH1A1MAPT | |
| SCHEMBL14638998 | 0.71 | PSMB8 (0.45) | CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL15976211 | 0.70 | CYP1A2 (0.41) | CYP1A2CYP19A1CYP2C9CYP2C19VCP | |
| SCHEMBL16515711 | 0.69 | KDM4E (0.47) | CYP1A2CYP2C19NPC1RAB9AATM | |
| SCHEMBL7682354 | 0.69 | DRD1 (0.50) | DRD1DRD2DRD4DRD5DRD3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8815909-B2 | Diaminocyclohexane compounds and uses thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-26 | — | — | US | disclosed |