Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 2/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5373776 | 0.92 | CYP3A4 (0.43) | CYP3A4THRATHRBAKR1B1DAO | |
| SCHEMBL5367067 | 0.92 | CYP3A4 (0.43) | CYP3A4THRATHRBHTR2ASLC6A4 | |
| SCHEMBL5366918 | 0.91 | CYP3A4 (0.47) | CYP3A4THRATHRBKMT2AHTR2A | |
| SCHEMBL5364926 | 0.90 | CYP3A4 (0.54) | CYP3A4THRATHRBKMT2AHTR2A | |
| SCHEMBL5368714 | 0.88 | CYP3A4 (0.53) | CYP3A4THRATHRBKMT2AAKR1B1 | |
| SCHEMBL5381993 | 0.86 | CYP3A4 (0.47) | CYP3A4THRATHRBKMT2AHTR2A | |
| SCHEMBL4367667 | 0.86 | CYP3A4 (0.53) | CYP3A4THRATHRBKMT2AAKR1B1 | |
| SCHEMBL5373613 | 0.86 | CYP3A4 (0.51) | CYP3A4THRATHRBHTR2ASLC6A4 | |
| SCHEMBL5377805 | 0.83 | CYP3A4 (0.45) | CYP3A4HTR2ASLC6A4KCNH2 | |
| SCHEMBL5372554 | 0.83 | CYP3A4 (0.44) | CYP3A4THRATHRBHTR2ASLC6A4 |
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-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |