Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7501250 | 1.00 | DRD2 (0.43) | DRD2DRD4HSD17B10ALDH1A1KDM4E | |
| Bromide SCHEMBL9081924 | 0.99 | DRD2 (0.43) | DRD2DRD4HSD17B10ALDH1A1KDM4E | |
| Bromide SCHEMBL9081927 | 0.99 | DRD2 (0.43) | DRD2DRD4HSD17B10ALDH1A1KDM4E | |
| SCHEMBL7501231 | 0.92 | DRD2 (0.45) | DRD2DRD4HSD17B10ALDH1A1KDM4E | |
| SCHEMBL7507674 | 0.92 | ALDH1A1 (0.49) | DRD2DRD4HSD17B10ALDH1A1KDM4E | |
| SCHEMBL7507666 | 0.92 | ALDH1A1 (0.49) | DRD2DRD4HSD17B10ALDH1A1KDM4E | |
| SCHEMBL7498715 | 0.91 | DRD2 (0.53) | DRD2DRD4HSD17B10ALDH1A1KDM4E | |
| SCHEMBL7506072 | 0.90 | CASP3 (0.46) | DRD2DRD4HSD17B10ALDH1A1KDM4E | |
| Bromide SCHEMBL9081046 | 0.89 | HSD17B10 (0.39) | DRD2DRD4HSD17B10ALDH1A1KDM4E | |
| Bromide SCHEMBL9081049 | 0.89 | HSD17B10 (0.39) | DRD2DRD4HSD17B10ALDH1A1KDM4E |
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 |
| WO-1996038438-A1 | TRICYCLIC DIAZEPINES USEFUL AS GnRH RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-05 | — | — | WO | disclosed |
| WO-1995029900-A1 | CONDENSED HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS GnRH ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-09 | — | — | WO | disclosed |