Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | FNTA | P49354 | 7/20 | 0.42 |
| ▸ | FNTB | P49356 | 7/20 | 0.42 |
| ▸ | PGGT1B | P53609 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5377392 | 0.91 | CYP3A4 (0.39) | CYP3A4FNTAFNTBPGGT1BXDH | |
| SCHEMBL5373721 | 0.91 | CYP3A4 (0.39) | CYP3A4FNTAFNTBPGGT1BSLC22A12 | |
| SCHEMBL5369034 | 0.90 | CYP3A4 (0.50) | CYP3A4LMNAPOLBAKR1B1 | |
| SCHEMBL14559747 | 0.90 | CYP3A4 (0.42) | CYP3A4FNTAFNTBPGGT1BLMNA | |
| SCHEMBL5382509 | 0.88 | CYP3A4 (0.42) | CYP3A4FNTAFNTBPGGT1BLMNA | |
| SCHEMBL5365226 | 0.87 | SLC22A12 (0.40) | CYP3A4FNTAFNTBPGGT1BSLC22A12 | |
| SCHEMBL5377388 | 0.85 | CYP3A4 (0.47) | CYP3A4FNTAFNTBPGGT1BSLC22A12 | |
| SCHEMBL5370850 | 0.85 | CYP3A4 (0.42) | CYP3A4LMNAPOLBSLC22A12SLC6A4 | |
| SCHEMBL5369145 | 0.85 | CYP3A4 (0.48) | CYP3A4LMNAAKR1B1SLC6A2SLC6A4 | |
| SCHEMBL5373719 | 0.84 | CYP3A4 (0.46) | CYP3A4LMNAPOLBAKR1B1SLC6A4 |
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 |