Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F9 | P00740 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 2/20 | 0.31 |
| ▸ | MMP9 | P14780 | 2/20 | 0.31 |
| ▸ | MMP8 | P22894 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL2524929 | 0.70 | TPSAB1 (0.51) | — | |
| SCHEMBL2526178 | 0.64 | PIN1 (0.41) | ALDH1A1 | |
| SCHEMBL2526173 | 0.64 | PIN1 (0.41) | ALDH1A1 | |
| SCHEMBL6830451 | 0.58 | PIN1 (0.49) | — | |
| SCHEMBL8598047 | 0.58 | GAA (0.63) | ALDH1A1TDP1KDM4EHPGD | |
| Trifluoroacetic Acid SCHEMBL6951531 | 0.56 | ALDH1A1 (0.47) | ALDH1A1TDP1MMP2MMP9MMP8 | |
| Phosphoric Acid SCHEMBL11576943 | 0.56 | MAOB (0.51) | ALDH1A1TDP1MMP2MMP9MMP8 | |
| SCHEMBL11001624 | 0.55 | ALDH1A1 (0.53) | ALDH1A1TDP1MMP2MMP9MMP8 | |
| SCHEMBL6759197 | 0.55 | MGAM (0.50) | ALDH1A1TDP1 | |
| SCHEMBL4352212 | 0.55 | MGAM (0.55) | ALDH1A1TDP1 |
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-2125753-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | claimed |
| WO-2008082003-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-10 | — | — | WO | claimed |