Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 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 | |
|---|---|---|---|---|
| SCHEMBL5377568 | 0.89 | CYP3A4 (0.47) | CYP3A4ARHTR2ASLC6A4KCNH2 | |
| SCHEMBL5366909 | 0.88 | CYP3A4 (0.46) | CYP3A4KDRAKR1B1 | |
| SCHEMBL5377723 | 0.87 | CYP3A4 (0.66) | CYP3A4EPAS1P2RX4HTR2ASLC6A4 | |
| SCHEMBL5365181 | 0.86 | CYP3A4 (0.67) | CYP3A4HTR2ASLC6A4KCNH2AKR1B1 | |
| SCHEMBL5373732 | 0.85 | CYP3A4 (0.45) | CYP3A4EPAS1ARKCNH2FNTA | |
| SCHEMBL5373755 | 0.85 | CYP3A4 (0.45) | CYP3A4EPAS1ARPTGS1P2RX4 | |
| SCHEMBL5368939 | 0.84 | CYP3A4 (0.64) | CYP3A4PTGS1P2RX4HTR2ASLC6A4 | |
| SCHEMBL5377627 | 0.84 | CYP3A4 (0.64) | CYP3A4P2RX4HTR2ASLC6A4KCNH2 | |
| SCHEMBL5374946 | 0.83 | CYP3A4 (0.42) | CYP3A4ARKDRAKR1B1PRMT5 | |
| SCHEMBL5370245 | 0.83 | CYP3A4 (0.63) | CYP3A4PTGS1HTR2ASLC6A4KCNH2 |
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 |