Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7779857 | 1.00 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL7779854 | 1.00 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL7784798 | 0.84 | HTR2A (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL7784800 | 0.84 | HTR2A (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL7784799 | 0.84 | HTR2A (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL7952530 | 0.79 | CYP19A1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL7952532 | 0.79 | CYP19A1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL4690945 | 0.77 | ALDH1A1 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL4685571 | 0.77 | ALDH1A1 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL4685573 | 0.77 | ALDH1A1 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0848699-B1 | BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-10-24 | — | — | EP | disclosed |
| US-5922771-A | MELATONIN RECEPTOR AGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-13 | — | — | US | disclosed |