Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.36 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | SELE | P16581 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | STK39 | Q9UEW8 | 1/20 | 0.36 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.35 |
| ▸ | P2RY1 | P47900 | 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 | |
|---|---|---|---|---|
| SCHEMBL5365456 | 0.89 | CYP3A4 (0.50) | CYP3A4AKR1B1KIF11ALDH1A1POLB | |
| SCHEMBL5377299 | 0.88 | CYP3A4 (0.47) | CYP3A4AKR1B1KIF11ALDH1A1POLB | |
| SCHEMBL5377385 | 0.86 | CYP3A4 (0.54) | CYP3A4AKR1B1HTR2ASLC6A4KCNH2 | |
| SCHEMBL5365181 | 0.86 | CYP3A4 (0.67) | CYP3A4AKR1B1HTR2ASLC6A4KCNH2 | |
| SCHEMBL4367667 | 0.85 | CYP3A4 (0.53) | CYP3A4AKR1B1 | |
| SCHEMBL5364926 | 0.84 | CYP3A4 (0.54) | CYP3A4HTR2ASLC6A4KCNH2ICAM1 | |
| SCHEMBL5385700 | 0.84 | CYP3A4 (0.54) | CYP3A4POLBFAAHSTK39 | |
| SCHEMBL5376942 | 0.84 | CYP3A4 (0.54) | CYP3A4HTR2ASLC6A4KCNH2POLB | |
| SCHEMBL5374482 | 0.82 | CYP3A4 (0.61) | CYP3A4AKR1B1HTR2ASLC6A4KCNH2 | |
| SCHEMBL5377579 | 0.82 | CYP3A4 (0.52) | CYP3A4HTR2ASLC6A4KCNH2EGFR |
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 |