Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7495825 | 1.00 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1POLBMT-CO2 | |
| SCHEMBL7502331 | 0.91 | ALDH1A1 (0.42) | ALDH1A1KMT2AMEN1POLBDRD2 | |
| SCHEMBL7497359 | 0.89 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1POLBMT-CO2 | |
| SCHEMBL7497354 | 0.89 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1POLBMT-CO2 | |
| SCHEMBL7508401 | 0.89 | ALDH1A1 (0.46) | ALDH1A1KMT2AMEN1POLBMT-CO2 | |
| SCHEMBL7501562 | 0.89 | CASR (0.46) | ALDH1A1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL7501263 | 0.88 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1POLBMT-CO2 | |
| SCHEMBL7498069 | 0.88 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1POLBMT-CO2 | |
| SCHEMBL7498239 | 0.88 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1POLBMT-CO2 | |
| SCHEMBL9117259 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1POLBMT-CO2 |
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 |