Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7413114 | 0.94 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL426162 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL10389514 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL2734649 | 0.82 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL4728760 | 0.82 | KEAP1 (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL23674957 | 0.81 | ALDH1A1 (0.71) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL2734249 | 0.81 | ALDH1A1 (0.71) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL7004939 | 0.81 | KMT2A (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL5708672 | 0.81 | NPC1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL2733252 | 0.81 | ALDH1A1 (0.71) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 |
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-4810706-A | ANTIHISTAMINES | RECHERCHE SYNTEX (FR) | 1989-03-07 | — | — | US | disclosed |
| EP-0227077-A1 | Piperazine derivatives of theophylline and theobromine | LABORATOIRES SYNTEX S.A. (FR) | 1987-07-01 | — | — | EP | disclosed |