Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.39 |
| ▸ | BPTF | Q12830 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008422 | 0.93 | PDCD1 (0.43) | CHRM4C5AR1PDCD1CD274 | |
| SCHEMBL8007983 | 0.92 | PDCD1 (0.43) | CHRM4C5AR1PDCD1CD274DRD4 | |
| SCHEMBL8005731 | 0.92 | C5AR1 (0.41) | CHRM4C5AR1PDCD1CD274DRD4 | |
| SCHEMBL8214004 | 0.86 | BPTF (0.47) | CHRM4C5AR1BPTFDRD4DRD2 | |
| SCHEMBL8222584 | 0.86 | CHRM4 (0.46) | CHRM4C5AR1DRD4DRD2GRM5 | |
| SCHEMBL30163903 | 0.86 | CHRM4 (0.46) | CHRM4C5AR1DRD4DRD2GRM5 | |
| SCHEMBL7843992 | 0.84 | PDCD1 (0.42) | C5AR1PDCD1CD274DRD4DRD2 | |
| Trifluoroacetic Acid SCHEMBL7996067 | 0.83 | CHRM4 (0.42) | CHRM4C5AR1DRD4DRD2KDM4E | |
| SCHEMBL8006055 | 0.80 | PDCD1 (0.43) | CHRM4C5AR1PDCD1CD274 | |
| SCHEMBL7997651 | 0.80 | PDCD1 (0.43) | CHRM4C5AR1PDCD1CD274DRD4 |
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 |