Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7495554 | 0.83 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2AGSK3BHPGD | |
| SCHEMBL7502806 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2AEGFRGSK3B | |
| SCHEMBL7506401 | 0.77 | BRD4 (0.64) | ALDH1A1MEN1KMT2AGSK3BHPGD | |
| SCHEMBL7499897 | 0.77 | GSK3B (0.50) | ALDH1A1MEN1KMT2AGSK3BHPGD | |
| SCHEMBL8905140 | 0.75 | CYP2C9 (0.42) | ALDH1A1MEN1KMT2AHPGDAPAF1 | |
| SCHEMBL6687679 | 0.73 | CYP1A2 (0.47) | ALDH1A1 | |
| SCHEMBL7503525 | 0.73 | IDO1 (0.44) | ALDH1A1MEN1KMT2AGSK3BLMNA | |
| SCHEMBL7504757 | 0.71 | GSK3B (0.44) | ALDH1A1MEN1KMT2AGSK3BHPGD | |
| SCHEMBL7504752 | 0.71 | GSK3B (0.44) | ALDH1A1MEN1KMT2AGSK3BHPGD | |
| SCHEMBL326305 | 0.69 | CASP3 (0.85) | ALDH1A1MEN1KMT2ACASP3GSK3B |
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 4 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 |
| US-5834463-A | CONTROLLING FERTILITY, MENSTRUAL CYCLES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-11-10 | — | — | US | 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 |