Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | KDM5A | P29375 | 2/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ARG1 | P05089 | 1/20 | 0.36 |
| ▸ | ARG2 | P78540 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1403827 | 0.97 | HSD17B10 (0.50) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 | |
| Diethylaminoethanol SCHEMBL22124994 | 0.95 | HSD17B10 (0.43) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL22749483 | 0.93 | HSD17B10 (0.42) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL43801 | 0.92 | ALDH1A1 (0.47) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 | |
| Trolamine SCHEMBL11973736 | 0.92 | ALDH1A1 (0.47) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL20629 | 0.92 | ALDH1A1 (0.47) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL7563544 | 0.90 | HSD17B10 (0.48) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL13488737 | 0.90 | CYP1A2 (0.52) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL7838829 | 0.90 | ALDH1A1 (0.45) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 | |
| Hydrochloric Acid SCHEMBL1132199 | 0.90 | ALDH1A1 (0.45) | HSD17B10CYP1A2CYP2C9HPGDMAPK1 |
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-1184400-A1 | Aromatic polyisocyanates blocked with pyrazole or pyrazole derivatives, process for their preparation and their use | BAYER AG (DE) | 2002-03-06 | — | — | EP | disclosed |