Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | CA6 | P23280 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | TPMT | P51580 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 4/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9833854 | 0.75 | TSHR (0.54) | CA12CA1CA2CA4CA6 | |
| SCHEMBL30555836 | 0.75 | CA12 (0.67) | CA12CA1CA2CA4CA6 | |
| SCHEMBL563069 | 0.75 | CA12 (0.67) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL29386353 | 0.74 | CA12 (1.00) | CA12CA1CA2CA4CA6 | |
| SCHEMBL29415167 | 0.74 | MAPK1 (0.77) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL114848 | 0.74 | CA12 (1.00) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL976032 | 0.74 | CA12 (1.00) | CA12CA1CA2CA4CA6 | |
| SCHEMBL335681 | 0.74 | MAPK1 (0.77) | CA12CA1CA2CA4CA6 | |
| SCHEMBL18848298 | 0.74 | CYP2C9 (0.61) | CA12CA1CA2CA4CA6 | |
| SCHEMBL7943556 | 0.74 | CA12 (0.64) | CA12CA1CA2CA4CA6 |
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-4413012-A | Method for treating depression | MERRELL TORAUDE ET COMPAGNIE (FR) | 1983-11-01 | — | — | US | claimed |