Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.42 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL6659821 | 0.98 | SIGMAR1 (0.44) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL11874051 | 0.88 | CSNK1E (0.47) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL11865658 | 0.84 | CSNK1E (0.57) | TP53CSNK1E | |
| SCHEMBL11871999 | 0.84 | CSNK1E (0.57) | TP53CSNK1E | |
| SCHEMBL6559365 | 0.84 | CSNK1E (0.57) | TP53CSNK1E | |
| SCHEMBL11861606 | 0.84 | CSNK1E (0.57) | TP53CSNK1E | |
| SCHEMBL11874146 | 0.84 | CSNK1E (0.57) | TP53CSNK1E | |
| Ammonia Solution, Strong SCHEMBL28800228 | 0.83 | CSNK1E (0.55) | TP53CSNK1E | |
| Ammonia Solution, Strong SCHEMBL10939844 | 0.83 | CSNK1E (0.55) | TP53CSNK1E | |
| SCHEMBL11453966 | 0.82 | SIGMAR1 (0.40) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114292247-A | Disulfide compound and method for catalyzing benzyl oxidation of alkyl aromatic compound by using disulfide compound | 大连理工大学 | 2022-04-08 | — | — | CN | disclosed |
| EP-0985649-B1 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6462248-B1 | THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS | TORAY INDUSTRIES, INC. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-0985649-A2 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |