Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29409987 | 0.89 | — | — | |
| SCHEMBL12431 | 0.89 | — | — | |
| SCHEMBL28249551 | 0.88 | CYP3A4 (0.37) | HSP90AA1CYP2C9CYP2C19CYP1A2HDAC3 | |
| SCHEMBL9441314 | 0.88 | NLRP3 (0.33) | HSP90AA1CYP2C9CYP2C19CYP1A2HDAC3 | |
| Ammonia Solution, Strong SCHEMBL3420997 | 0.87 | — | — | |
| SCHEMBL28249390 | 0.83 | HDAC3 (0.38) | HSP90AA1CYP2C9CYP2C19CYP1A2HDAC3 | |
| Trimethylammonium SCHEMBL27628866 | 0.83 | POLB (0.41) | HSP90AA1CYP2C9CYP2C19CYP1A2HDAC3 | |
| Butane SCHEMBL9777737 | 0.82 | CYP2D6 (0.39) | HSP90AA1CYP2C9CYP2C19CYP1A2KDM4E | |
| SCHEMBL12345 | 0.82 | — | — | |
| SCHEMBL29363842 | 0.82 | — | — |
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-5266482-A | Biosynthesis | LONZA LTD. (CH) | 1993-11-30 | — | — | US | disclosed |
| US-5173412-A | Converted with microorganism Agrobacterium | LONZA, LTD. (CH) | 1992-12-22 | — | — | US | disclosed |