Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4308054 | 0.84 | CA12 (0.43) | CA1CA2CA7CA9CA12 | |
| SCHEMBL13066221 | 0.80 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1134723 | 0.77 | CA1 (0.53) | CA1CA2CA7CA9CA12 | |
| SCHEMBL30250475 | 0.77 | CA1 (0.53) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1402481 | 0.76 | CA12 (0.62) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2911817 | 0.76 | CA12 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL19297783 | 0.76 | ACHE (0.56) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11598923 | 0.76 | ALDH1A1 (0.44) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL12325065 | 0.75 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL12671757 | 0.74 | CA12 (0.43) | CA1CA2CA7CA9CA12 |
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-0516257-B1 | Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same | SCHERING AG (DE) | 1998-08-05 | — | — | EP | disclosed |
| US-5420128-A | Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0516257-A1 | Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-12-02 | — | — | EP | disclosed |
| EP-0503099-A1 | PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-09-16 | — | — | EP | disclosed |