Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL6668485 | 1.00 | CA2 (0.39) | CA2CES1CES2ALDH1A1L3MBTL1 | |
| SCHEMBL344 | 0.95 | CA2 (0.41) | CA2CES1CES2ALDH1A1L3MBTL1 | |
| SCHEMBL27892503 | 0.95 | CA2 (0.41) | CA2CES1CES2ALDH1A1L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL9724655 | 0.92 | ALDH1A1 (0.38) | CA2CES1CES2ALDH1A1L3MBTL1 | |
| Benzene SCHEMBL28159586 | 0.92 | CES1 (0.46) | CA2CES1CES2ALDH1A1L3MBTL1 | |
| Fluoride SCHEMBL1594462 | 0.91 | CA2 (0.39) | CA2CES1CES2ALDH1A1POLB | |
| SCHEMBL11800353 | 0.91 | CA2 (0.39) | CA2CES1CES2ALDH1A1POLB | |
| SCHEMBL15540711 | 0.91 | CA2 (0.39) | CA2CES1CES2ALDH1A1POLB | |
| SCHEMBL7149277 | 0.91 | CA2 (0.39) | CA2CES1CES2ALDH1A1POLB | |
| SCHEMBL11799381 | 0.91 | CA2 (0.39) | CA2CES1CES2ALDH1A1POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1196428-B1 | 11-BETA-ARYL-17,17-SPIROTHIOLANE-SUBSTITUTED STEROIDS | RES TRIANGLE INST (US) | 2004-09-22 | — | — | EP | disclosed |
| EP-1196428-A4 | 11$g(b)-ARYL-17,17-SPIROTHIOLANE-SUBSTITUTED STEROIDS | RES TRIANGLE INST (US) | 2002-10-16 | — | — | EP | disclosed |
| EP-1196428-A1 | 11$g(b)-ARYL-17,17-SPIROTHIOLANE-SUBSTITUTED STEROIDS | RESEARCH TRIANGLE INSTITUTE (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001007462-A1 | 11β-ARYL-17,17-SPIROTHIOLANE-SUBSTITUTED STEROIDS | RESEARCH TRIANGLE INSTITUTE (US) | 2001-02-01 | — | — | WO | disclosed |
| US-6043235-A | 11β-aryl-17, 17-spirothiolane-substituted steroids | RESEARCH TRIANGLE INSTITUTE (US) | 2000-03-28 | — | — | US | disclosed |