Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.40 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.38 |
| ▸ | CCR2 | P41597 | 3/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL8008422 | 0.90 | PDCD1 (0.43) | CHRM4C5AR1KDM2BBCHEADAM17 | |
| Trifluoroacetic Acid SCHEMBL7996066 | 0.86 | KDM2B (0.45) | CHRM4C5AR1IRAK4KDM2BKDM4E | |
| SCHEMBL8008071 | 0.83 | CHRM4 (0.41) | CHRM4C5AR1KDM4EALDH1A1DRD2 | |
| SCHEMBL8006055 | 0.81 | PDCD1 (0.43) | CHRM4C5AR1KDM2BBCHECCR2 | |
| SCHEMBL8005731 | 0.81 | C5AR1 (0.41) | CHRM4C5AR1KDM4EALDH1A1DRD2 | |
| Trifluoroacetic Acid SCHEMBL8006053 | 0.79 | GAA (0.51) | CHRM4C5AR1KDM4EALDH1A1DRD2 | |
| SCHEMBL8008419 | 0.78 | KDM2B (0.50) | CHRM4KDM2BKDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL1024810 | 0.77 | FFAR4 (0.55) | CHRM4C5AR1DRD2DRD4FFAR1 | |
| SCHEMBL8007983 | 0.76 | PDCD1 (0.43) | CHRM4C5AR1KDM4EALDH1A1DRD2 | |
| SCHEMBL8214004 | 0.73 | BPTF (0.47) | CHRM4C5AR1KDM4EALDH1A1DRD2 |
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 |