Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | PARP1 | P09874 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5371246 | 0.85 | CYP3A4 (0.48) | CYP3A4PARP1KMT2AALDH1A1NPSR1 | |
| SCHEMBL5375840 | 0.80 | CYP3A4 (0.55) | CYP3A4PARP1 | |
| SCHEMBL5373711 | 0.79 | CYP3A4 (0.49) | CYP3A4PARP1ALOX15KMT2AALDH1A1 | |
| SCHEMBL5382621 | 0.79 | CYP3A4 (0.54) | CYP3A4KMT2AALDH1A1CYP1A2HPGD | |
| SCHEMBL5368972 | 0.78 | CYP3A4 (0.64) | CYP3A4PARP1ALOX15ALDH1A1NPSR1 | |
| SCHEMBL7585620 | 0.77 | CYP3A4 (0.55) | CYP3A4PARP1 | |
| SCHEMBL5377330 | 0.76 | CYP3A4 (0.52) | CYP3A4PARP1KMT2A | |
| SCHEMBL5373636 | 0.76 | CYP3A4 (0.56) | CYP3A4PARP1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL5373725 | 0.76 | CYP3A4 (0.80) | CYP3A4PARP1ALDH1A1CYP1A2L3MBTL1 | |
| SCHEMBL4367667 | 0.76 | CYP3A4 (0.53) | CYP3A4KMT2ACYP1A2CYP2C9CYP2C19 |
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 |