Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4963643 | 0.92 | ROCK1 (0.42) | ROCK1EPHX2HRH3ALDH1A1MAPK1 | |
| SCHEMBL4964680 | 0.88 | MEN1 (0.43) | ROCK1ALDH1A1TRPV4UBE2N | |
| SCHEMBL4969661 | 0.85 | HSD11B1 (0.44) | ROCK1EPHX2HRH3ALDH1A1MAPK1 | |
| SCHEMBL4968708 | 0.82 | HSD11B1 (0.41) | EPHX2ALDH1A1SCN1ATRPV4 | |
| SCHEMBL4965287 | 0.81 | HSD11B1 (0.44) | ROCK1EPHX2ALDH1A1TRPV4 | |
| SCHEMBL4963230 | 0.79 | KMO (0.43) | EPHX2ALDH1A1SCN1A | |
| SCHEMBL4964132 | 0.79 | ROCK1 (0.42) | ROCK1EPHX2HRH3ALDH1A1MAPK1 | |
| SCHEMBL4968167 | 0.77 | ROCK1 (0.41) | ROCK1EPHX2HRH3ALDH1A1MAPK1 | |
| SCHEMBL4966984 | 0.75 | HDAC3 (0.48) | ROCK1EPHX2HRH3ALDH1A1MAPK1 | |
| SCHEMBL4963884 | 0.75 | ROCK1 (0.40) | ROCK1EPHX2HRH3TRPV4HDAC3 |
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 2 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 |