Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11564969 | 0.90 | CYP2D6 (0.49) | CYP2D6ALDH1A1KMT2AHRH3KCNH2 | |
| SCHEMBL11447549 | 0.86 | CYP2D6 (0.45) | CYP2D6ALDH1A1CYP3A4CYP2C9KMT2A | |
| Hydrochloric Acid SCHEMBL11565672 | 0.85 | CYP2D6 (0.44) | CYP2D6ALDH1A1CYP3A4CYP2C9KMT2A | |
| SCHEMBL11562792 | 0.84 | MEN1 (0.43) | CYP2D6ALDH1A1CYP3A4CYP2C9KMT2A | |
| Hydrochloric Acid SCHEMBL11793742 | 0.83 | CYP2D6 (0.43) | CYP2D6ALDH1A1CYP3A4CYP2C9KMT2A | |
| SCHEMBL14492511 | 0.83 | CYP2D6 (0.43) | CYP2D6ALDH1A1KMT2AHRH3KCNH2 | |
| Hydrochloric Acid SCHEMBL11793741 | 0.83 | CYP2D6 (0.43) | CYP2D6ALDH1A1CYP3A4CYP2C9KMT2A | |
| SCHEMBL27750372 | 0.82 | NAPRT (0.47) | ALDH1A1CYP3A4CYP2C9KMT2ALMNA | |
| SCHEMBL11563510 | 0.81 | OPRM1 (0.45) | CYP2D6ALDH1A1KMT2AKCNH2LMNA | |
| SCHEMBL27749328 | 0.77 | OPRL1 (0.54) | CYP2D6ALDH1A1CYP3A4CYP2C9 |
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-4179569-A | ANALGESIC INTERMEDIATES | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-12-18 | — | — | US | disclosed |