Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL828451 | 1.00 | CYP3A4 (0.33) | CYP3A4TDP1TAAR1SLC6A2MAOA | |
| Hydrochloric Acid SCHEMBL4527827 | 0.98 | CYP3A4 (0.32) | CYP3A4TDP1TAAR1 | |
| SCHEMBL613867 | 0.98 | CYP3A4 (0.35) | CYP3A4TDP1TAAR1SLC6A2MAOA | |
| SCHEMBL613866 | 0.98 | CYP3A4 (0.35) | CYP3A4TDP1TAAR1SLC6A2MAOA | |
| SCHEMBL3310231 | 0.98 | CYP3A4 (0.35) | CYP3A4TDP1TAAR1SLC6A2MAOA | |
| SCHEMBL5177211 | 0.96 | CYP3A4 (0.33) | CYP3A4TDP1TAAR1SLC6A2MAOA | |
| Hydrochloric Acid SCHEMBL7834687 | 0.94 | CYP3A4 (0.32) | CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL9740749 | 0.94 | CYP3A4 (0.32) | CYP3A4TDP1TAAR1 | |
| Hydrochloric Acid SCHEMBL4527828 | 0.94 | CYP3A4 (0.32) | CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL10627872 | 0.94 | CYP3A4 (0.32) | CYP3A4TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003068391-A1 | HYDROGENATION CATALYST AND PROCESS FOR PRODUCTION OF ALKENES | NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) | 2003-08-21 | — | — | WO | disclosed |