Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL4958298 | 0.85 | NPC1 (0.33) | CYP2A6NPC1TP53HPGDRAB9A | |
| SCHEMBL8251647 | 0.71 | AXL (0.34) | CYP2A6NPC1TP53HPGDRAB9A | |
| SCHEMBL4609617 | 0.70 | AQP1 (0.36) | AHRGABRA1GABRG2GABRB3 | |
| SCHEMBL5586510 | 0.70 | AQP1 (0.38) | CYP2A6NPC1TP53HPGDRAB9A | |
| SCHEMBL4596283 | 0.70 | HTR1A (0.44) | GABRA1GABRG2GABRB3 | |
| SCHEMBL4596281 | 0.70 | GABRA1 (0.34) | CYP2A6NPC1TP53HPGDRAB9A | |
| SCHEMBL4230148 | 0.67 | AQP1 (0.46) | GABRA1GABRG2GABRB3DPP4 | |
| SCHEMBL4964386 | 0.67 | AQP1 (0.42) | PDK2GABRA1GABRG2GABRB3 | |
| SCHEMBL5583500 | 0.67 | CSNK2A2 (0.34) | NPC1HPGDRAB9ASMN1; SMN2DPP4 | |
| SCHEMBL4230244 | 0.67 | AQP1 (0.42) | CYP2A6PDK2GABRA1GABRG2GABRB3 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2007509174-A | — | — | 2007-04-12 | — | — | JP | claimed |
| EP-1675840-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | Wyeth a Corporation of the State of Delaware (US) | 2006-07-05 | — | — | EP | claimed |
| WO-2005044812-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | WYETH A CORPORATION OF THE STATE OF DELAWARE (US) | 2005-05-19 | — | — | WO | claimed |