Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11564386 | 0.90 | CYP2D6 (0.47) | CYP2D6ALDH1A1KMT2AHRH3KCNH2 | |
| SCHEMBL27749328 | 0.87 | OPRL1 (0.54) | CYP2D6ALDH1A1 | |
| SCHEMBL11447549 | 0.87 | CYP2D6 (0.45) | CYP2D6ALDH1A1KMT2AHRH3KCNH2 | |
| Hydrochloric Acid SCHEMBL11565672 | 0.86 | CYP2D6 (0.44) | CYP2D6ALDH1A1KMT2AHRH3CTSK | |
| Hydrochloric Acid SCHEMBL11793741 | 0.85 | CYP2D6 (0.43) | CYP2D6ALDH1A1KMT2AHRH3CTSK | |
| SCHEMBL14492511 | 0.85 | CYP2D6 (0.43) | CYP2D6ALDH1A1KMT2AHRH3KCNH2 | |
| Hydrochloric Acid SCHEMBL11793742 | 0.85 | CYP2D6 (0.43) | CYP2D6ALDH1A1KMT2AHRH3CTSK | |
| SCHEMBL11563510 | 0.83 | OPRM1 (0.45) | CYP2D6ALDH1A1KMT2AKCNH2 | |
| SCHEMBL7153039 | 0.80 | CYP1A2 (0.53) | CYP2D6ALDH1A1CYP1A2CTSKTSHR | |
| Hydrochloric Acid SCHEMBL2991144 | 0.75 | CYP1A2 (0.61) | ALDH1A1CYP1A2CTSK |
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 |