Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | EED | O75530 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4819501 | 0.88 | TAAR1 (0.53) | ALDH1A1HRH3TAAR1SIGMAR1EED | |
| SCHEMBL6967476 | 0.83 | HRH3 (0.43) | HRH3 | |
| SCHEMBL13393826 | 0.80 | HRH3 (0.50) | HRH3TAAR1SIGMAR1CHRM2CHRM1 | |
| SCHEMBL6980047 | 0.79 | DAO (0.46) | ALDH1A1HRH3TAAR1SIGMAR1EED | |
| SCHEMBL6973607 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HRH3TAAR1SIGMAR1EED | |
| SCHEMBL6981221 | 0.78 | POLB (0.45) | — | |
| SCHEMBL29966756 | 0.76 | EED (0.56) | ALDH1A1HRH3TAAR1SIGMAR1EED | |
| SCHEMBL9034218 | 0.74 | DAO (0.52) | HRH3TAAR1SIGMAR1CHRM2CHRM1 | |
| SCHEMBL9006858 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HRH3TAAR1SIGMAR1CHRM2 | |
| SCHEMBL4809381 | 0.72 | SLC18A2 (0.65) | HRH3SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | claimed |