Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | RARA | P10276 | 4/20 | 0.32 |
| ▸ | RARB | P10826 | 4/20 | 0.32 |
| ▸ | RARG | P13631 | 4/20 | 0.32 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | PSEN1 | P49768 | 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 | |
|---|---|---|---|---|
| SCHEMBL10912346 | 0.95 | ABCB11 (0.39) | ABCB11RXRARXRBHIF1AEPAS1 | |
| SCHEMBL7787543 | 0.86 | ABCB11 (0.46) | ABCB11RXRARXRBHIF1AEPAS1 | |
| SCHEMBL11159812 | 0.74 | ESR1 (0.40) | CYP3A4PGRALDH1A1 | |
| SCHEMBL8824861 | 0.69 | ABCB11 (0.41) | ABCB11RXRARXRBUSP2ALDH1A1 | |
| SCHEMBL7782012 | 0.69 | ABCB11 (0.41) | ABCB11RXRARXRBUSP2ALDH1A1 | |
| SCHEMBL7789722 | 0.68 | HTR2A (0.35) | GAA | |
| SCHEMBL11215262 | 0.67 | RXRA (0.46) | RXRARXRBRARARARBRARG | |
| SCHEMBL2641075 | 0.64 | ABCB11 (0.52) | ABCB11 | |
| Bromide SCHEMBL9159462 | 0.63 | RXRA (0.42) | RXRARXRBRARARARBRARG | |
| SCHEMBL5247771 | 0.61 | ABCB11 (0.50) | ABCB11CYP3A4ALDH1A1HPGDALOX15 |
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-0842928-B1 | PROCESS FOR PRODUCING ISOCHROMAN COMPOUNDS | KAO CORP (JP) | 2001-10-24 | — | — | EP | disclosed |
| EP-0842928-A1 | PROCESS FOR PRODUCING ISOCHROMAN COMPOUNDS | Kao Corporation (JP) | 1998-05-20 | — | — | EP | disclosed |
| US-4596804-A | ANTIALLERGENS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1986-06-24 | — | — | US | disclosed |
| US-4523023-A | Preparation of isochromane derivatives | HAARMANN & REIMER GMBH (DE) | 1985-06-11 | — | — | US | disclosed |
| EP-0130555-A2 | Dibenz (b,e) oxepin derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1985-01-09 | — | — | EP | disclosed |