Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KLK7 | P49862 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.32 |
| ▸ | TUBB | P07437 | 1/20 | 0.32 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.32 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.32 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.32 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6592551 | 0.80 | ALDH1A1 (0.33) | ALDH1A1KDM4EHPGDKLK7MEN1 | |
| SCHEMBL31260280 | 0.72 | ALDH1A1 (0.57) | ALDH1A1KDM4EKLK7CA1CA2 | |
| SCHEMBL1140756 | 0.72 | ALDH1A1 (0.47) | ALDH1A1KDM4EKLK7CA1CA2 | |
| SCHEMBL1987343 | 0.72 | ALDH1A1 (0.57) | ALDH1A1KDM4EKLK7CA1CA2 | |
| SCHEMBL31260278 | 0.72 | ALDH1A1 (0.57) | ALDH1A1KDM4EKLK7CA1CA2 | |
| SCHEMBL68563 | 0.68 | KDM4E (0.48) | ALDH1A1KDM4EHPGDCA1CA2 | |
| SCHEMBL68066 | 0.67 | VHL (0.50) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL9379290 | 0.67 | PGR (0.42) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL12471284 | 0.67 | MEN1 (0.47) | ALDH1A1KDM4EHPGDNCOA1TDP2 | |
| SCHEMBL606742 | 0.66 | PTGS2 (0.47) | ALDH1A1KDM4EHPGDMEN1KMT2A |
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-1042313-B1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY | ALLERGAN INC (US) | 2004-04-28 | — | — | EP | disclosed |
| EP-1042313-A1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY | Allergan Sales, Inc. (US) | 2000-10-11 | — | — | EP | disclosed |
| US-5958954-A | 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES | ALLERGAN SALES, INC. (US) | 1999-09-28 | — | — | US | disclosed |
| WO-1999033821-A1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY | ALLERGAN SALES, INC. (US) | 1999-07-08 | — | — | WO | disclosed |