Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5374337 | 0.90 | CYP3A4 (0.47) | CYP3A4SLC6A2SLC6A4SLC6A3CAMK2A | |
| SCHEMBL5367073 | 0.88 | CYP3A4 (0.44) | CYP3A4SLC6A2SLC6A4SLC6A3CAMK2A | |
| SCHEMBL5377719 | 0.85 | CYP3A4 (0.46) | CYP3A4SLC6A2SLC6A4SLC6A3CAMK2A | |
| SCHEMBL5370472 | 0.85 | CYP3A4 (0.48) | CYP3A4SLC6A2SLC6A4SLC6A3CAMK2A | |
| SCHEMBL5421210 | 0.83 | CYP3A4 (0.48) | CYP3A4SLC6A4THRATHRB | |
| SCHEMBL5374946 | 0.83 | CYP3A4 (0.42) | CYP3A4CAMK2AAKR1B1PRMT5WDR77 | |
| SCHEMBL5370245 | 0.83 | CYP3A4 (0.63) | CYP3A4SLC6A2SLC6A4SLC6A3AKR1B1 | |
| SCHEMBL5377126 | 0.82 | CYP3A4 (0.40) | CYP3A4SLC6A2SLC6A4SLC6A3CAMK2A | |
| SCHEMBL5373947 | 0.81 | CYP3A4 (0.44) | CYP3A4AKR1B1CYP2C9TSHRCYP2C19 | |
| SCHEMBL5368812 | 0.81 | CYP3A4 (0.55) | CYP3A4AKR1B1PRMT5WDR77 |
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 |