Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.78 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CTRC | Q99895 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | TPO | P07202 | 1/20 | 0.33 |
| ▸ | EPX | P11678 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CFD | P00746 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5373808 | 0.89 | CYP3A4 (0.69) | CYP3A4AKR1B1THRATHRB | |
| SCHEMBL5367220 | 0.87 | CYP3A4 (0.84) | CYP3A4AKR1B1KMT2ATHRATHRB | |
| SCHEMBL5374414 | 0.87 | CYP3A4 (0.67) | CYP3A4AKR1B1ALDH1A1MPOCFD | |
| SCHEMBL5368824 | 0.84 | CYP3A4 (0.70) | CYP3A4AKR1B1MPO | |
| SCHEMBL5370463 | 0.84 | CYP3A4 (0.63) | CYP3A4GPR55CNR2 | |
| SCHEMBL5370307 | 0.81 | CYP3A4 (0.80) | CYP3A4AKR1B1CYP1A2MEN1KMT2A | |
| SCHEMBL5373725 | 0.81 | CYP3A4 (0.80) | CYP3A4POLBCYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL5351260 | 0.78 | AKR1B1 (0.51) | CYP3A4POLBAKR1B1CYP1A2ALDH1A1 | |
| SCHEMBL5368780 | 0.76 | CYP3A4 (0.74) | CYP3A4POLBAKR1B1CYP1A2ALDH1A1 | |
| SCHEMBL5365374 | 0.76 | CYP3A4 (0.68) | CYP3A4AKR1B1ALDH1A1RAB9ATHRA |
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 |