Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | PTDSS1 | P48651 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | RGS12 | O14924 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | GAK | O14976 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 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 | |
|---|---|---|---|---|
| SCHEMBL5312666 | 0.83 | MAP4K1 (0.35) | MAP4K1ALDH1A1KDM4EHSD17B10LMNA | |
| SCHEMBL5314312 | 0.81 | PPARD (0.34) | MAP4K1MAPK1NPSR1PKM | |
| SCHEMBL5419366 | 0.74 | AR (0.32) | MAP4K1ALDH1A1KDM4EJAK1MAPK1 | |
| SCHEMBL4425835 | 0.73 | CHRM1 (0.44) | — | |
| SCHEMBL5313810 | 0.71 | MAP2K4 (0.37) | KMT2ANPC1MEN1CYP1A2POLB | |
| SCHEMBL5314525 | 0.69 | MAPK1 (0.34) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4435380 | 0.69 | MAPT (0.49) | ALDH1A1MAPTKMT2AKDM4EHSD17B10 | |
| SCHEMBL5313829 | 0.68 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8327060 | 0.66 | AR (0.35) | ALDH1A1MAPTKMT2AKDM4EHSD17B10 | |
| SCHEMBL7810926 | 0.65 | AR (0.39) | ALDH1A1KDM4ENPC1POLBMKNK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0934311-A2 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER AG (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998016507-A2 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-23 | — | — | WO | disclosed |