Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.54 |
| ▸ | ADH1C | P00326 | 1/20 | 0.54 |
| ▸ | ADH1A | P07327 | 1/20 | 0.54 |
| ▸ | ADH4 | P08319 | 1/20 | 0.54 |
| ▸ | ADH7 | P40394 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27949761 | 0.92 | — | — | |
| SCHEMBL14972795 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL20771115 | 0.75 | GNAI3 (0.42) | EPHX1 | |
| SCHEMBL26559407 | 0.74 | CPN1 (0.39) | EPHX1CYP2D6KMT2A | |
| SCHEMBL8952019 | 0.70 | ADH1A (1.00) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL303776 | 0.70 | ADH1A (1.00) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL8606031 | 0.70 | ADH1A (1.00) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL5651614 | 0.70 | ADH1A (1.00) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL1679102 | 0.69 | ADH1B (0.59) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL1679033 | 0.69 | ADH1B (0.59) | ADH1BADH1CADH1AADH4ADH7 |
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-9902726-B2 | Pyridone-sulfone morphinan analogs as opioid receptor ligands | PURDUE PHARMA L.P. (US) | 2018-02-27 | — | — | US | disclosed |