Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | CCR1 | P32246 | 2/20 | 0.52 |
| ▸ | CCR5 | P51681 | 2/20 | 0.52 |
| ▸ | CCR8 | P51685 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | METAP1 | P53582 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.52 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27725299 | 0.88 | CYP2A6 (0.57) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28062312 | 0.87 | KDM4E (0.68) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| Benzene SCHEMBL29224585 | 0.87 | KDM4E (0.68) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29360780 | 0.87 | KDM4E (0.68) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL35754 | 0.87 | KDM4E (0.68) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL140400 | 0.84 | KDM4E (0.65) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL608973 | 0.84 | KDM4E (0.65) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7764586 | 0.84 | KDM4E (0.65) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL2459060 | 0.84 | KDM4E (0.65) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL10628597 | 0.84 | KDM4E (0.65) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |