Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | MME | P08473 | 5/20 | 0.47 |
| ▸ | ACE | P12821 | 5/20 | 0.47 |
| ▸ | CPA1 | P15085 | 4/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 4/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.43 |
| ▸ | PSAT1 | Q9Y617 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8061416 | 1.00 | SIGMAR1 (0.47) | SIGMAR1MMEACECPA1ACE2 | |
| SCHEMBL199315 | 0.87 | TRPA1 (0.57) | SIGMAR1TRPA1TAAR1SLC6A2MAOA | |
| SCHEMBL28051645 | 0.87 | TRPA1 (0.57) | SIGMAR1TRPA1TAAR1SLC6A2MAOA | |
| Benzene SCHEMBL3082124 | 0.87 | TRPA1 (0.57) | SIGMAR1TRPA1TAAR1SLC6A2MAOA | |
| SCHEMBL16374643 | 0.85 | CYP17A1 (0.39) | SIGMAR1TAAR1SLC6A4CYP2A6ACACB | |
| SCHEMBL10720375 | 0.84 | SIGMAR1 (0.46) | SIGMAR1MMEACECPA1ACE2 | |
| SCHEMBL18559857 | 0.83 | CYP19A1 (0.41) | SIGMAR1TAAR1CYP2A6CYP1A2ACACB | |
| SCHEMBL6547498 | 0.83 | SIGMAR1 (0.50) | SIGMAR1TRPA1TAAR1SLC6A2MAOA | |
| SCHEMBL24181347 | 0.83 | TRPA1 (0.37) | SIGMAR1MMEACECPA1ACE2 | |
| SCHEMBL8689678 | 0.83 | PTGS1 (0.43) | MMEACECPA1ACE2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108912842-A | A kind of multiple anti-fake liquid crystal ink, Preparation method and use | 北京化工大学 | 2018-11-30 | — | — | CN | disclosed |
| CN-105198712-A | Method of preparing S-(+)-4-(2-methylbutyl) xenol | HEBEI YANUO CHEMICAL CO LTD | 2015-12-30 | — | — | CN | disclosed |