Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.38 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9684251 | 0.89 | ALDH1A1 (0.44) | ALDH1A1SLC6A9CNR1CNR2OPRM1 | |
| SCHEMBL8534618 | 0.78 | OPRM1 (0.46) | ALDH1A1OPRM1OPRD1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL11268886 | 0.76 | OPRM1 (0.44) | ALDH1A1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL9682023 | 0.75 | ALDH1A1 (0.47) | ALDH1A1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL11415783 | 0.73 | MEN1 (0.44) | OPRM1OPRD1OPRK1OPRL1KMT2A | |
| SCHEMBL11133605 | 0.73 | KDM4E (0.38) | ALDH1A1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL9842210 | 0.72 | OPRD1 (0.38) | SLC6A9OPRM1OPRD1OPRK1KMT2A | |
| SCHEMBL24359261 | 0.71 | KMT2A (0.48) | CNR1CNR2HTTNPSR1KMT2A | |
| SCHEMBL5685743 | 0.71 | ALDH1A1 (0.47) | ALDH1A1CNR1CNR2HTTNPSR1 | |
| SCHEMBL5685739 | 0.71 | ALDH1A1 (0.47) | ALDH1A1CNR1CNR2HTTNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4686217-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS | FISONS PLC (GB) | 1987-08-11 | — | — | US | disclosed |
| US-4607041-A | CARDIOTONIC AGENTS | FISONS PLC (GB) | 1986-08-19 | — | — | US | disclosed |
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | disclosed |