Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.43 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.39 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.38 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | CCR2 | P41597 | 2/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 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 | |
|---|---|---|---|---|
| SCHEMBL8008071 | 0.93 | CHRM4 (0.41) | PDCD1CD274C5AR1CHRM4 | |
| SCHEMBL8005731 | 0.90 | C5AR1 (0.41) | PDCD1CD274C5AR1CHRM4 | |
| Trifluoroacetic Acid SCHEMBL7996067 | 0.90 | CHRM4 (0.42) | C5AR1KDM2BCHRM4BCHECCR2 | |
| SCHEMBL8006055 | 0.88 | PDCD1 (0.43) | PDCD1CD274C5AR1KDM2BCHRM4 | |
| SCHEMBL8007983 | 0.85 | PDCD1 (0.43) | PDCD1CD274C5AR1MBTD1L3MBTL3 | |
| SCHEMBL8214004 | 0.82 | BPTF (0.47) | C5AR1CHRM4DPP4 | |
| SCHEMBL30163903 | 0.81 | CHRM4 (0.46) | C5AR1CHRM4 | |
| SCHEMBL8222584 | 0.81 | CHRM4 (0.46) | C5AR1CHRM4 | |
| SCHEMBL8008419 | 0.80 | KDM2B (0.50) | PDCD1CD274KDM2BCHRM4 | |
| SCHEMBL7843992 | 0.79 | PDCD1 (0.42) | PDCD1CD274C5AR1DPP4 |
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 |