Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | RARA | P10276 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 1/20 | 0.53 |
| ▸ | RARG | P13631 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 4/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL6596588 | 0.90 | CYP3A4 (0.49) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL1140980 | 0.90 | RARA (0.39) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6591025 | 0.83 | KMT2A (0.33) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6592969 | 0.82 | NPC1 (0.36) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6591282 | 0.81 | MAPT (0.34) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL5669671 | 0.81 | RARB (0.41) | CYP3A4RARARARBRARGCYP26A1 | |
| SCHEMBL6593885 | 0.79 | RARA (0.57) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6591838 | 0.79 | RARA (0.56) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6595226 | 0.75 | CYP3A4 (0.63) | CYP3A4RARARARBRARGKMT2A | |
| SCHEMBL6234971 | 0.75 | PDK2 (0.38) | CYP3A4RARARARBRARGKMT2A |
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 |