Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 6/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5179465 | 0.72 | GPR84 (0.53) | CA12CA1CA2CA4CA5A | |
| SCHEMBL76993 | 0.72 | LMNA (0.61) | CA12CA1CA2CA4CA5A | |
| SCHEMBL943390 | 0.70 | CA12 (0.49) | CA12CA1CA2CA4CA5A | |
| SCHEMBL228426 | 0.70 | CA12 (0.49) | CA12CA1CA2CA4CA5A | |
| SCHEMBL1282632 | 0.69 | LMNA (0.62) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL557817 | 0.69 | LMNA (0.57) | CA12CA1CA2CA4CA5A | |
| Benzylphenylether SCHEMBL61660 | 0.69 | LMNA (0.74) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL339813 | 0.69 | LMNA (0.82) | CA12CA1CA2CA4CA5A | |
| SCHEMBL11507748 | 0.68 | LMNA (0.50) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL17544669 | 0.68 | MAOB (0.49) | CA12CA1CA2CA4CA5A |
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-4971982-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1990-11-20 | — | — | US | disclosed |