Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL25148983 | 0.85 | CYP2C9 (0.65) | CYP1A2CYP2D6CYP2C9CYP2C19BCAT2 | |
| SCHEMBL12231121 | 0.83 | BCAT2 (0.62) | CYP1A2CYP2D6CYP2C9CYP2C19BCAT2 | |
| SCHEMBL12700259 | 0.79 | HIF1A (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19BCAT2 | |
| SCHEMBL25148938 | 0.79 | HIF1A (0.66) | CYP1A2CYP2D6CYP2C9CYP2C19BCAT2 | |
| SCHEMBL56318 | 0.79 | BCAT2 (0.56) | CYP2C9BCAT2ALDH1A1HPGDKMT2A | |
| SCHEMBL4916799 | 0.78 | AKR1C3 (0.53) | CYP2C9ALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL8722110 | 0.77 | EPHX2 (0.68) | CYP1A2CYP2D6CYP2C9CYP2C19EPHX2 | |
| SCHEMBL11036287 | 0.77 | AKR1C3 (0.61) | ALDH1A1TDP1L3MBTL1MAPTAKR1C3 | |
| SCHEMBL4433537 | 0.76 | CYP1A2 (0.67) | CYP1A2CYP2D6CYP2C9CYP2C19BCAT2 | |
| SCHEMBL1569111 | 0.76 | MAPT (0.53) | CYP2C9CYP2C19ALDH1A1KMT2AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101501002-B | Non-nucleoside reverse transcriptase inhibitors | HOFFMANN LA ROCHE | 2012-06-27 | — | — | CN | disclosed |
| CN-1946680-B | Non-nucleoside reverse transcriptase inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-06 | — | — | CN | disclosed |
| CN-101291905-A | Phenylacetamide NNRT Inhibitors | HOFFMANN LA ROCHE (CH) | 2008-10-22 | — | — | CN | disclosed |
| CN-101273020-A | NNRT inhibitors | HOFFMANN LA ROCHE (CH) | 2008-09-24 | — | — | CN | disclosed |