Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | RORB | Q92753 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.32 |
| ▸ | VNN1 | O95497 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | IGFBP3 | P17936 | 1/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5377033 | 0.89 | CYP3A4 (0.76) | CYP3A4CYP1A2CYP2C19ALDH1A1POLB | |
| SCHEMBL5365374 | 0.88 | CYP3A4 (0.68) | CYP3A4ALDH1A1MAPK7VNN1PARP1 | |
| SCHEMBL5373725 | 0.88 | CYP3A4 (0.80) | CYP3A4CYP1A2ALDH1A1POLBPARP1 | |
| SCHEMBL5368514 | 0.86 | CYP3A4 (0.80) | CYP3A4CYP1A2CYP2C19ALDH1A1VNN1 | |
| SCHEMBL5368912 | 0.86 | CYP3A4 (0.83) | CYP3A4PARP1THRATHRBAKR1B1 | |
| SCHEMBL5372475 | 0.85 | CYP3A4 (1.00) | CYP3A4CYP2C19ALDH1A1VNN1PARP1 | |
| SCHEMBL5377729 | 0.83 | CYP3A4 (0.72) | CYP3A4PARP1THRATHRBAKR1B1 | |
| SCHEMBL5365060 | 0.82 | CYP3A4 (0.71) | CYP3A4ALDH1A1POLBTHRATHRB | |
| SCHEMBL5369076 | 0.79 | CYP3A4 (0.67) | CYP3A4ALDH1A1VNN1POLBPARP1 | |
| SCHEMBL5375137 | 0.79 | CYP3A4 (0.67) | CYP3A4CYP1A2POLBKDM4ETHRA |
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 3 patents. 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 |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |