Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 2/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.43 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7507580 | 0.94 | ALDH1A1 (0.45) | CASROPRD1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL7507666 | 0.89 | ALDH1A1 (0.49) | CASP3ALDH1A1ALDH2ALDH3A1KDM4E | |
| SCHEMBL7507674 | 0.89 | ALDH1A1 (0.49) | CASP3ALDH1A1ALDH2ALDH3A1KDM4E | |
| SCHEMBL9082342 | 0.87 | ITGB3 (0.45) | CASROPRD1ALDH1A1MAPTRAB9A | |
| SCHEMBL9082336 | 0.87 | ITGB3 (0.45) | CASROPRD1ALDH1A1MAPTRAB9A | |
| SCHEMBL7501562 | 0.86 | CASR (0.46) | CASRALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL7501231 | 0.83 | DRD2 (0.45) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7503076 | 0.83 | MEN1 (0.46) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7498715 | 0.82 | DRD2 (0.53) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7508040 | 0.82 | BRD4 (0.43) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 |
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-0757681-B1 | CONDENSED HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS GnRH ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-09-18 | — | — | EP | disclosed |
| WO-1995029900-A1 | CONDENSED HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS GnRH ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-09 | — | — | WO | disclosed |