Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15833697 | 0.87 | ALDH1A1 (0.33) | ALDH1A1GAATRIM24 | |
| SCHEMBL13091165 | 0.78 | HSD17B10 (0.40) | ALDH1A1GAA | |
| SCHEMBL31714457 | 0.76 | LMNA (0.45) | ALDH1A1GAA | |
| SCHEMBL12698059 | 0.76 | POLB (0.41) | — | |
| SCHEMBL31714699 | 0.75 | CASP1 (0.49) | ALDH1A1GAA | |
| SCHEMBL10075473 | 0.74 | PKM (0.61) | ALDH1A1GAATRIM24 | |
| SCHEMBL10076590 | 0.73 | DRD2 (0.52) | ALDH1A1GAATRIM24 | |
| SCHEMBL5423529 | 0.72 | MAOA (0.44) | — | |
| SCHEMBL30525088 | 0.71 | ALDH1A1 (0.51) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 | |
| SCHEMBL20791320 | 0.71 | ALDH1A1 (0.51) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 |
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-2655350-B1 | BICYCLIC PKM2 ACTIVATORS | AGIOS PHARMACEUTICALS INC (US) | 2016-03-09 | — | — | EP | disclosed |