Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL499471 | 0.82 | CYP2D6 (0.61) | CYP2D6KMT2ASRCAPAF1LMNA | |
| SCHEMBL23872457 | 0.82 | CYP2D6 (0.61) | CYP2D6KMT2ASRCAPAF1LMNA | |
| SCHEMBL28171482 | 0.82 | CYP2D6 (0.61) | CYP2D6KMT2ASRCAPAF1LMNA | |
| SCHEMBL4921518 | 0.82 | CYP2D6 (0.61) | CYP2D6KMT2ASRCAPAF1LMNA | |
| SCHEMBL27872947 | 0.80 | PTGS2 (0.40) | CYP2D6LMNAMAPK1PTGS2PTGS1 | |
| SCHEMBL6237736 | 0.79 | CYP2D6 (0.57) | CYP2D6KMT2ASRCAPAF1LMNA | |
| SCHEMBL31186930 | 0.79 | CYP2D6 (0.57) | CYP2D6PTGS1 | |
| SCHEMBL22758148 | 0.79 | PTGS1 (0.44) | CYP2D6LMNAPTGS2PTGS1 | |
| SCHEMBL9254448 | 0.78 | CYP2D6 (0.55) | CYP2D6KMT2ASRCAPAF1LMNA | |
| SCHEMBL27987504 | 0.78 | CYP2D6 (0.67) | CYP2D6KMT2ASRCAPAF1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102712577-B | Substituted 3-phenylpropionic acids and the use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-10-15 | — | — | CN | disclosed |
| CN-102712577-A | Substituted 3-phenylpropionic acids and the use thereof | BAYER SCHERING PHARMA AG | 2012-10-03 | — | — | CN | disclosed |