Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2158037 | 0.85 | CYP3A4 (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3811273 | 0.75 | CYP3A4 (0.39) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12464441 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL14950511 | 0.72 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2157844 | 0.67 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6427844 | 0.67 | IKBKB (0.43) | KMT2ACYP1A2CYP2C9 | |
| SCHEMBL2157378 | 0.67 | ERCC1 (0.39) | KMT2A | |
| SCHEMBL2158274 | 0.67 | MAPT (0.39) | KMT2A | |
| SCHEMBL14048989 | 0.66 | CYP3A4 (0.39) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2457555 | 0.66 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401825-B1 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | VIROCHEM PHARMA INC (CA) | 2009-08-05 | — | — | EP | disclosed |