Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL3584925 | 0.77 | NPC1 (0.51) | NPC1RAB9AKDM4EPKMSMN1; SMN2 | |
| SCHEMBL5370461 | 0.70 | MEN1 (0.38) | KDM4EMAPTTP53MEN1KMT2A | |
| SCHEMBL5530009 | 0.70 | GAA (0.60) | NPC1RAB9AKDM4EPKMSMN1; SMN2 | |
| SCHEMBL15702691 | 0.68 | MEN1 (0.55) | NPC1RAB9AKDM4EPKMSMN1; SMN2 | |
| SCHEMBL5051473 | 0.66 | KMT2A (0.53) | NPC1RAB9AKDM4EPKMSMN1; SMN2 | |
| SCHEMBL16403955 | 0.62 | NPC1 (0.51) | NPC1RAB9AKDM4EPKMSMN1; SMN2 | |
| SCHEMBL3578005 | 0.62 | SMN1; SMN2 (0.50) | NPC1RAB9AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL1243071 | 0.62 | SMN1; SMN2 (0.69) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL9079544 | 0.62 | MEN1 (0.48) | NPC1KDM4ESMN1; SMN2MAPTTP53 | |
| SCHEMBL14887518 | 0.61 | ATR (0.45) | KDM4EMAPTMEN1KMT2AGAA |
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-1836188-A1 | PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | Astex Therapeutics Limited (GB) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006070198-A1 | PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-06 | — | — | WO | disclosed |