Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 6/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13990824 | 0.76 | CYP2A13 (0.46) | CYP2A13HSD17B10CYP2C9ALOX15HRH3 | |
| SCHEMBL12659844 | 0.75 | CYP2A13 (0.53) | CYP2A13HSD17B10CYP2C9ALOX15HRH3 | |
| SCHEMBL3822968 | 0.73 | CYP2C9 (0.51) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| SCHEMBL4108854 | 0.73 | CYP2A13 (1.00) | CYP2A13HSD17B10CYP2C9ALOX15ALDH1A1 | |
| SCHEMBL11193326 | 0.72 | CYP2A13 (0.75) | CYP2A13HSD17B10CYP2C9ALOX15HRH3 | |
| SCHEMBL3826794 | 0.72 | HCRTR1 (0.53) | CYP2A13HSD17B10CYP2C9ALOX15ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11239603 | 0.71 | CYP2A13 (0.96) | CYP2A13HSD17B10CYP2C9ALOX15ALDH1A1 | |
| SCHEMBL8262954 | 0.71 | CYP2A13 (0.53) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| SCHEMBL23921890 | 0.70 | CYP2A13 (0.44) | CYP2A13HSD17B10CYP2C9ALOX15HRH3 | |
| SCHEMBL13983575 | 0.70 | CYP2A13 (0.65) | CYP2A13HSD17B10CYP2C9ALOX15ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080004270-A1 | 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors | ASTEX THERAPEUTICS LIMITED (UK) | 2008-01-03 | — | — | US | claimed |
| EP-1781653-A1 | 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS | Astex Therapeutics Limited (GB) | 2007-05-09 | — | — | EP | claimed |
| WO-2006003440-A1 | 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-01-12 | — | — | WO | claimed |
| US-20080004270-A1 | 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors | ASTEX THERAPEUTICS LIMITED (UK) | 2008-01-03 | — | — | US | disclosed |
| EP-1781653-A1 | 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS | Astex Therapeutics Limited (GB) | 2007-05-09 | — | — | EP | disclosed |
| EP-1551797-B1 | CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME (GB) | 2007-02-21 | — | — | EP | disclosed |
| WO-2006003440-A1 | 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-01-12 | — | — | WO | disclosed |
| WO-2004031137-A1 | CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2004-04-15 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080004270-A1 | 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors | CDK3, CDK1, GSK3B | CYP2A13 1493/4885HSD17B10 1196/4885CYP2C9 2049/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.