Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL622895 | 0.88 | KMT2A (0.45) | ALDH1A1LMNATSHRL3MBTL1KDM4E | |
| SCHEMBL1218771 | 0.79 | TSHR (0.39) | ALDH1A1LMNATSHRTDP1KDM4E | |
| SCHEMBL162961 | 0.78 | ALDH1A1 (0.53) | ALDH1A1LMNATSHRTDP1ESR1 | |
| SCHEMBL19809939 | 0.78 | HMGCR (0.34) | — | |
| SCHEMBL16369379 | 0.77 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL601435 | 0.73 | NOTUM (0.33) | ALDH1A1TSHRTDP1ESR1KDM4E | |
| SCHEMBL4294216 | 0.73 | KMT2A (0.46) | ALDH1A1LMNATSHRL3MBTL1KDM4E | |
| SCHEMBL19809947 | 0.72 | — | — | |
| SCHEMBL6035543 | 0.72 | KMT2A (0.45) | ALDH1A1LMNATSHRL3MBTL1KDM4E | |
| SCHEMBL16334638 | 0.72 | ALDH1A1 (0.31) | ALDH1A1 |
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-2011131615-A1 | PROCESS FOR PREPARING 5-FLUORO-1-ALKYL-3-FLUOROALKYL-1H-PYRAZOLE-4-CARBONYL CHLORIDES AND FLUORIDES | BAYER CROPSCIENCE AG (DE) | 2011-10-27 | — | — | WO | disclosed |