Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2724870 | 0.85 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2710517 | 0.80 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2726161 | 0.80 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2732796 | 0.78 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL12086145 | 0.78 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| Boric Acid SCHEMBL28912173 | 0.77 | CES2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19CES2 | |
| SCHEMBL7036777 | 0.77 | MAPT (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19CES2 | |
| SCHEMBL12086098 | 0.77 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2725403 | 0.77 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL12086216 | 0.76 | CYP1A2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1261573-A2 | ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS | 1428388 Ontario Limited (CA) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001007386-A2 | ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS | 1428388 ONTARIO LIMITED (CA) | 2001-02-01 | — | — | WO | disclosed |