Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 4/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 4/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.35 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17532352 | 1.00 | NPC1 (0.38) | NPC1KMT2APYGLHCRTR2F2 | |
| SCHEMBL17532354 | 0.94 | S1PR1 (0.36) | NPC1KMT2APYGLF2MC4R | |
| SCHEMBL22167262 | 0.94 | S1PR1 (0.36) | NPC1KMT2APYGLF2MC4R | |
| SCHEMBL22167257 | 0.93 | CCR1 (0.36) | NPC1PYGLF2CCR1KDM1A | |
| SCHEMBL17532355 | 0.93 | CCR1 (0.36) | NPC1PYGLF2CCR1KDM1A | |
| SCHEMBL17539170 | 0.93 | S1PR4 (0.35) | NPC1KMT2APYGLF2MC4R | |
| SCHEMBL17532350 | 0.92 | MTTP (0.35) | PYGLF2ITGB1KDM1A | |
| SCHEMBL17532351 | 0.92 | S1PR4 (0.37) | NPC1KMT2APYGLF2MC4R | |
| SCHEMBL17539172 | 0.91 | HRH2 (0.35) | KMT2APYGLF2ACEITGB3 | |
| SCHEMBL17492926 | 0.90 | P2RX7 (0.39) | ACEITGB3ITGAVITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-3172199-B1 | PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS | CELGENE INT II SARL (CH) | 2020-07-01 | — | — | EP | disclosed |