Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 5/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | FAAH | O00519 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9587002 | 0.90 | KDM4E (0.61) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL9587576 | 0.90 | MEN1 (0.57) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL9598169 | 0.89 | HTT (0.64) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL9588899 | 0.87 | HSD17B10 (0.58) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL9589632 | 0.87 | HSD17B10 (0.58) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL9587878 | 0.86 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL7305166 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL9587661 | 0.82 | NPC1 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL9588605 | 0.82 | CHRM1 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL9587211 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19HTT |
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-5190974-A | Analgesics | ROUSSEL UCLAF (FR) | 1993-03-02 | — | — | US | disclosed |