Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.61 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 2/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.58 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.58 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | HTR3A | P46098 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11412546 | 1.00 | CYP3A4 (0.61) | CYP3A4TSHRLMNACYP1A2CYP2C9 | |
| SCHEMBL4799894 | 1.00 | CYP3A4 (0.61) | CYP3A4TSHRLMNACYP1A2CYP2C9 | |
| SCHEMBL11228191 | 1.00 | CYP3A4 (0.61) | CYP3A4TSHRLMNACYP1A2CYP2C9 | |
| SCHEMBL9068770 | 0.95 | CYP3A4 (0.67) | CYP3A4TSHRLMNACYP1A2CYP2C9 | |
| SCHEMBL1807523 | 0.91 | NPC1 (0.67) | CYP3A4TSHRLMNACYP1A2CYP2C9 | |
| SCHEMBL316710 | 0.91 | NPC1 (0.67) | CYP3A4TSHRLMNACYP1A2CYP2C9 | |
| SCHEMBL9420518 | 0.91 | NPC1 (0.67) | CYP3A4TSHRLMNACYP1A2CYP2C9 | |
| SCHEMBL9928660 | 0.91 | CYP3A4 (0.66) | CYP3A4TSHRLMNACYP1A2CYP2C9 | |
| SCHEMBL18821714 | 0.86 | CYP3A4 (0.56) | CYP3A4TSHRLMNACYP1A2CYP2C9 | |
| SCHEMBL291777 | 0.86 | NPC1 (0.73) | CYP3A4TSHRLMNACYP1A2CYP2C9 |
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-4342683-A | Azo dyes with carboxyl polyalkyleneoxy chain moiety | BAYER AKTIENGESELLSCHAFT (DE) | 1982-08-03 | — | — | US | disclosed |
| US-4235598-A | FOR DYEING POLYESTER FIBERS | BAYER AKTIENGESELLSCHAFT (DE) | 1980-11-25 | — | — | US | disclosed |