Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX12 | P18054 | 2/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 3/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.35 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7502809 | 1.00 | ALOX12 (0.49) | ALOX12EPHX2BRD4SIRT1NISCH | |
| Hydrochloric Acid SCHEMBL7502494 | 0.99 | ALOX12 (0.48) | ALOX12EPHX2BRD4SIRT1NISCH | |
| SCHEMBL2979728 | 0.73 | SIGMAR1 (0.45) | ALOX12BRD4SIRT1CACNA1GCACNA1H | |
| SCHEMBL7496685 | 0.72 | BRD4 (0.55) | ALOX12BRD4SIRT1CACNA1GCACNA1H | |
| SCHEMBL7496682 | 0.72 | BRD4 (0.55) | ALOX12BRD4SIRT1CACNA1GCACNA1H | |
| SCHEMBL7955621 | 0.72 | ALOX12 (0.48) | ALOX12EPHX2BRD4SIRT1NISCH | |
| Hydrochloric Acid SCHEMBL7504712 | 0.71 | BRD4 (0.54) | ALOX12BRD4SIRT1CACNA1GCACNA1H | |
| SCHEMBL7496122 | 0.71 | ALDH1A1 (0.57) | EPHX2OPRL1LMNATSHR | |
| SCHEMBL7496118 | 0.71 | ALDH1A1 (0.57) | EPHX2OPRL1LMNATSHR | |
| SCHEMBL7817753 | 0.70 | ALOX12 (0.52) | ALOX12EPHX2BRD4SIRT1NISCH |
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 3 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 |
| EP-0757681-A1 | CONDENSED HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS GnRH ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 1997-02-12 | — | — | 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 |