Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13492229 | 0.92 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19RORCIDO1 | |
| SCHEMBL3914677 | 0.89 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19RORCIDO1 | |
| SCHEMBL2638669 | 0.88 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19RORCIDO1 | |
| SCHEMBL2637899 | 0.86 | CA1 (0.49) | CYP3A4CA12CA1CA2CA9 | |
| SCHEMBL2639248 | 0.85 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19RORCKCNH2 | |
| SCHEMBL13492244 | 0.84 | RORC (0.43) | CYP3A4CYP2C9CYP2C19RORCIDO1 | |
| SCHEMBL13586655 | 0.84 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19RORCKCNH2 | |
| SCHEMBL2639193 | 0.83 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19RORCIDO1 | |
| SCHEMBL13586645 | 0.83 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19RORCNPC1 | |
| SCHEMBL2639564 | 0.83 | RORC (0.44) | CYP3A4CYP2C9CYP2C19RORCNPC1 |
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-7625949-B2 | Methods for treating retroviral infections | ROCHE PALO ALTO LLC (US) | 2009-12-01 | — | — | US | disclosed |