Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL727818 | 0.86 | CYP3A4 (0.46) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL8332827 | 0.86 | GRM5 (0.35) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL6589030 | 0.81 | PRKCA (0.39) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL6595226 | 0.80 | CYP3A4 (0.63) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL6593039 | 0.80 | KDM4E (0.53) | KMT2AALDH1A1KDM4EHSD17B10NPC1 | |
| SCHEMBL5960214 | 0.79 | RARB (0.35) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL6591370 | 0.77 | KMT2A (0.41) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL6594047 | 0.77 | RARA (0.42) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL6592216 | 0.76 | RARA (0.40) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL19342953 | 0.75 | RARA (0.65) | KMT2ACYP3A4RARARARBRARG |
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-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 |
| WO-1999033821-A1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY | ALLERGAN SALES, INC. (US) | 1999-07-08 | — | — | WO | disclosed |