Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | OGFRL1 | Q5TC84 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TRPC3 | Q13507 | 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 | |
|---|---|---|---|---|
| SCHEMBL7997651 | 0.93 | PDCD1 (0.43) | PDCD1CD274C5AR1KDM4EALDH1A1 | |
| SCHEMBL2261269 | 0.86 | KDM4E (0.47) | C5AR1KDM4EALDH1A1GRM5MEN1 | |
| SCHEMBL12835705 | 0.85 | DPP4 (0.47) | KDM4EALDH1A1GRM5OPRM1OPRK1 | |
| SCHEMBL20129683 | 0.85 | DPP4 (0.47) | KDM4EALDH1A1GRM5OPRM1OPRK1 | |
| SCHEMBL8008071 | 0.84 | CHRM4 (0.41) | PDCD1CD274KDM1AC5AR1KDM4E | |
| Hydrochloric Acid SCHEMBL1514285 | 0.83 | DPP4 (0.47) | KDM4EALDH1A1GRM5OPRM1OPRK1 | |
| Hydrochloric Acid SCHEMBL1514528 | 0.83 | DPP4 (0.47) | KDM4EALDH1A1GRM5OPRM1OPRK1 | |
| SCHEMBL8008068 | 0.83 | GAA (0.54) | C5AR1KDM4EALDH1A1GRM5OPRM1 | |
| SCHEMBL8005731 | 0.81 | C5AR1 (0.41) | PDCD1CD274KDM1AC5AR1KDM4E | |
| SCHEMBL8007983 | 0.81 | PDCD1 (0.43) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1019052-A4 | ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2001-05-16 | — | — | EP | disclosed |
| US-6143750-A | NITROGEN HETEROCYCLIC COMPOUNDS AS ENZYME INHIBITORS, FOR PROSTATE PROBLEMS AND MUSCLE RELAXANTS | MERCK & CO., INC. (US) | 2000-11-07 | — | — | US | disclosed |
| EP-1019052-A1 | ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-07-19 | — | — | EP | disclosed |
| WO-1998057640-A1 | ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-12-23 | — | — | WO | disclosed |