Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4964194 | 0.98 | IDO1 (0.38) | IDO1CHEK2EPHX1DHODHHIF1A | |
| SCHEMBL4778491 | 0.72 | CYP3A4 (0.34) | CYP3A4CYP2D6CYP2C9SCN9A | |
| SCHEMBL2624132 | 0.72 | AURKA (0.39) | HRH3RAB9ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4769460 | 0.71 | TMIGD3 (0.41) | IDO1TYRRAB9ACYP3A4CYP2D6 | |
| SCHEMBL3708334 | 0.70 | C1S (0.42) | IDO1TYRRAB9A | |
| SCHEMBL28883214 | 0.68 | MEN1 (0.33) | RAB9A | |
| SCHEMBL31135495 | 0.68 | ADORA1 (0.41) | IDO1RAB9ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2678119 | 0.67 | ADORA1 (0.46) | RAB9ACYP3A4CYP2D6CYP2C9SCN9A | |
| SCHEMBL164485 | 0.67 | — | — | |
| SCHEMBL14482528 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1888544-A2 | HYDROXYSTEROID DEHYDROGENASE INHIBITORS | Takeda San Diego, Inc. (US) | 2008-02-20 | — | — | EP | claimed |
| WO-2006066109-A2 | HYDROXYSTEROID DEHYDROGENASE INHIBITORS | TAKEDA SAN DIEGO, INC. (US) | 2006-06-22 | — | — | WO | claimed |
| EP-1888544-A2 | HYDROXYSTEROID DEHYDROGENASE INHIBITORS | Takeda San Diego, Inc. (US) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006066109-A2 | HYDROXYSTEROID DEHYDROGENASE INHIBITORS | TAKEDA SAN DIEGO, INC. (US) | 2006-06-22 | — | — | WO | disclosed |