Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CCKBR | P32239 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 4/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7499726 | 0.94 | ALDH1A1 (0.42) | CASRALDH1A1KDM4ELMNAXIAP | |
| SCHEMBL7500262 | 0.89 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL7495825 | 0.89 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL7500658 | 0.86 | CASR (0.48) | CASRALDH1A1KDM4ELMNAXIAP | |
| SCHEMBL7502331 | 0.81 | ALDH1A1 (0.42) | ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL7507580 | 0.80 | ALDH1A1 (0.45) | CASRALDH1A1KDM4EXIAPALDH2 | |
| SCHEMBL7508401 | 0.79 | ALDH1A1 (0.46) | ALDH1A1ALDH2ALDH3A1SMN1; SMN2MEN1 | |
| SCHEMBL7507845 | 0.78 | TSHR (0.43) | ALDH1A1LMNASMN1; SMN2KMT2A | |
| SCHEMBL7497359 | 0.78 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL7497354 | 0.78 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2MEN1KMT2A |
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 |