Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL13409722 | 0.84 | ALDH1A1 (0.44) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL1536392 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL29850315 | 0.72 | KDM4E (0.70) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL21906404 | 0.72 | KDM4E (0.70) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL15491313 | 0.72 | POLB (0.60) | ALDH1A1KDM4EMAPK1SMN1; SMN2POLB | |
| SCHEMBL1536327 | 0.72 | POLB (0.46) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL10693072 | 0.72 | POLB (0.46) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL29366129 | 0.71 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL52405 | 0.71 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL11286804 | 0.71 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2340830-A2 | Hepatitis C Virus Inhibitors | Bristol-Myers Squibb Company (US) | 2011-07-06 | — | — | EP | disclosed |