Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31358675 | 0.80 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9254209 | 0.77 | CHRM2 (0.41) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL23566743 | 0.73 | ACHE (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL2614471 | 0.70 | — | — | |
| SCHEMBL8866488 | 0.70 | AR (0.50) | ARCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL28155485 | 0.69 | CASP3 (0.42) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1MEN1 | |
| SCHEMBL9587935 | 0.69 | ALDH1A1 (0.40) | ARCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL9251205 | 0.69 | MAOB (0.42) | ARALDH1A1CYP2A6MAOALRRK2 | |
| SCHEMBL19608809 | 0.65 | AR (0.53) | ARALDH1A1CYP2A6MAOALRRK2 | |
| SCHEMBL18406716 | 0.65 | AR (0.62) | ARALDH1A1CYP2A6MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-5389632-A | Cardiovascular disorders | LABORATOIRES UPSA (FR) | 1995-02-14 | — | — | US | disclosed |
| US-5387747-A | Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis | LABORATOIRES UPSA (FR) | 1995-02-07 | — | — | US | disclosed |