Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6548084 | 0.81 | CYP2D6 (0.52) | TRPA1CYP2D6CNR1CNR2TAAR1 | |
| SCHEMBL10021101 | 0.81 | CNR1 (0.49) | TRPA1CYP2D6CNR1CNR2TAAR1 | |
| SCHEMBL8716605 | 0.80 | LMNA (0.49) | TRPA1CYP2D6TAAR1SLC6A2MAOA | |
| SCHEMBL8716602 | 0.80 | LMNA (0.49) | TRPA1CYP2D6TAAR1SLC6A2MAOA | |
| SCHEMBL5313594 | 0.77 | ESR1 (0.53) | TRPA1CYP2D6CNR1CNR2TAAR1 | |
| SCHEMBL29938176 | 0.77 | SLC6A2 (0.55) | CYP2D6CNR1CNR2TAAR1SLC6A2 | |
| SCHEMBL21852752 | 0.76 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SLC6A2MAOA | |
| SCHEMBL234669 | 0.76 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SLC6A2MAOA | |
| SCHEMBL19725385 | 0.76 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SLC6A2MAOA | |
| SCHEMBL6878032 | 0.76 | LMNA (0.54) | CYP2D6SLC6A4CYP3A4CYP2C19ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| JP-59053436-A | — | — | None | — | — | JP | disclosed |
| JP-S5953436-A | REGIOSELECTIVE AND STEROSELECTIVE PREPARATION OF ALDOLS | MITSUI PETROCHEM IND LTD | 1984-03-28 | — | — | JP | disclosed |