Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.43 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | TRPC6 | Q9Y210 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 5/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.37 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL7843992 | 0.93 | PDCD1 (0.42) | PDCD1CD274C5AR1KDM4EALDH1A1 | |
| SCHEMBL8005731 | 0.85 | C5AR1 (0.41) | PDCD1CD274C5AR1KDM4EALDH1A1 | |
| SCHEMBL2261269 | 0.84 | KDM4E (0.47) | C5AR1KDM4EALDH1A1GRM5CYP3A4 | |
| SCHEMBL8005728 | 0.83 | GAA (0.53) | PDCD1CD274C5AR1KDM4EGRM5 | |
| SCHEMBL12835705 | 0.83 | DPP4 (0.47) | KDM4EALDH1A1GRM5DPP4 | |
| SCHEMBL20129683 | 0.83 | DPP4 (0.47) | KDM4EALDH1A1GRM5DPP4 | |
| Hydrochloric Acid SCHEMBL1514528 | 0.81 | DPP4 (0.47) | KDM4EALDH1A1GRM5DPP4 | |
| Hydrochloric Acid SCHEMBL1514285 | 0.81 | DPP4 (0.47) | KDM4EALDH1A1GRM5DPP4 | |
| SCHEMBL20129652 | 0.81 | GRM1 (0.46) | KDM4EALDH1A1GRM5DPP4AR | |
| SCHEMBL8008071 | 0.80 | CHRM4 (0.41) | PDCD1CD274C5AR1KDM4EALDH1A1 |
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-6143750-A | NITROGEN HETEROCYCLIC COMPOUNDS AS ENZYME INHIBITORS, FOR PROSTATE PROBLEMS AND MUSCLE RELAXANTS | MERCK & CO., INC. (US) | 2000-11-07 | — | — | US | disclosed |