Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 3/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 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 | |
|---|---|---|---|---|
| SCHEMBL14153034 | 0.87 | MAP4K4 (0.45) | MAP4K4CHEK2TAAR1ESR2HPGDS | |
| SCHEMBL14153514 | 0.78 | TAAR1 (0.53) | MAP4K4CHEK2TAAR1ESR2HPGDS | |
| SCHEMBL14153548 | 0.78 | GRM5 (0.57) | — | |
| SCHEMBL16892862 | 0.76 | ESR2 (0.46) | MAP4K4CHEK2TAAR1ESR2FYN | |
| SCHEMBL486067 | 0.75 | KMO (0.59) | MAP4K4CHEK2TAAR1ESR2HPGDS | |
| Acetic Acid SCHEMBL27957503 | 0.72 | HIF1A (0.47) | MAP4K4CHEK2 | |
| SCHEMBL16512756 | 0.71 | ESR2 (0.60) | MAP4K4CHEK2TAAR1ESR2HPGDS | |
| SCHEMBL1477226 | 0.71 | MAP4K4 (0.70) | MAP4K4CHEK2TAAR1ESR2DYRK1A | |
| SCHEMBL10165304 | 0.71 | TAAR1 (0.50) | MAP4K4TAAR1ESR2PDGFRBPDGFRA | |
| SCHEMBL1912349 | 0.70 | GABRA1 (0.51) | MAP4K4CHEK2ESR2HPGDSKMO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012162635-A1 | METABOTROPIC GLUTAMATE RECEPTORS 5 MODULATORS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2012-11-29 | — | — | WO | disclosed |