Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.41 |
| ▸ | WNT3A | P56704 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4857039 | 0.99 | TAAR1 (0.42) | TAAR1SLC2A1CTNNB1WNT3ACA12 | |
| SCHEMBL5576935 | 0.89 | PTGDR2 (0.38) | TAAR1SLC2A1CTNNB1WNT3ACA12 | |
| SCHEMBL5981692 | 0.89 | SLC2A1 (0.41) | TAAR1SLC2A1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5576999 | 0.89 | PTGDR2 (0.37) | TAAR1SLC2A1CTNNB1WNT3ACA12 | |
| Hydrochloric Acid SCHEMBL4850194 | 0.88 | SLC2A1 (0.41) | TAAR1SLC2A1CA12CA1CA2 | |
| SCHEMBL14513395 | 0.88 | SLC2A1 (0.41) | TAAR1SLC2A1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5313164 | 0.88 | SLC2A1 (0.40) | TAAR1SLC2A1CA12CA1CA2 | |
| SCHEMBL13987719 | 0.88 | SLC2A1 (0.43) | TAAR1SLC2A1CTNNB1WNT3ACA12 | |
| SCHEMBL13987487 | 0.87 | NPC1 (0.40) | SLC2A1CTNNB1WNT3ACA12CA1 | |
| Hydrochloric Acid SCHEMBL4863165 | 0.87 | SLC2A1 (0.43) | TAAR1SLC2A1CTNNB1WNT3ACA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-7462628-B2 | Preventives/remedies for urinary disturbance | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-09 | — | — | US | disclosed |