Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | RARA | P10276 | 2/20 | 0.44 |
| ▸ | RARB | P10826 | 2/20 | 0.44 |
| ▸ | RARG | P13631 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9331449 | 0.85 | RARB (0.55) | CYP3A4KMT2ARARARARBRARG | |
| SCHEMBL9817722 | 0.83 | RARA (0.63) | CYP3A4KMT2ARARARARBRARG | |
| SCHEMBL9737688 | 0.76 | RARB (0.39) | CYP3A4KMT2ARARARARBRARG | |
| SCHEMBL7163052 | 0.74 | KMT2A (0.42) | CYP3A4KMT2ARARARARBRARG | |
| SCHEMBL9817712 | 0.74 | RARA (0.44) | CYP3A4KMT2ARARARARBRARG | |
| SCHEMBL9329536 | 0.74 | RARB (0.57) | CYP3A4RARARARBRARGCYP26A1 | |
| SCHEMBL6365622 | 0.72 | TSHR (0.71) | CYP3A4KMT2ATSHRALDH1A1HSD17B10 | |
| SCHEMBL9817900 | 0.72 | RARA (0.47) | CYP3A4KMT2ARARARARBRARG | |
| SCHEMBL7791411 | 0.71 | TSHR (0.61) | CYP3A4KMT2ATSHRALDH1A1HSD17B10 | |
| SCHEMBL6368932 | 0.70 | CYP3A4 (0.62) | CYP3A4KMT2ARARARARBRARG |
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 |
|---|---|---|---|---|---|---|---|
| US-5278318-A | Acetylation under Friedel Crafts condition | ALLERGAN, INC. (US) | 1994-01-11 | — | — | US | disclosed |
| EP-0553156-A4 | CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY | — | 1993-11-18 | — | — | EP | disclosed |
| EP-0553156-A1 | CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1993-08-04 | — | — | EP | disclosed |
| US-5162546-A | ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1992-11-10 | — | — | US | disclosed |
| WO-1992006084-A1 | CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1992-04-16 | — | — | WO | disclosed |