Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 10/20 | 0.63 |
| ▸ | RAB9A | P51151 | 8/20 | 0.63 |
| ▸ | MITF | O75030 | 7/20 | 0.63 |
| ▸ | LMNA | P02545 | 5/20 | 0.63 |
| ▸ | NPC1 | O15118 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | RECQL | P46063 | 3/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5103337 | 0.98 | HTT (0.61) | HTTRAB9AMITFLMNANPC1 | |
| SCHEMBL5103228 | 0.77 | ADORA2A (0.44) | HTTRAB9AMITFLMNANPC1 | |
| SCHEMBL14574536 | 0.77 | HTT (0.56) | HTTRAB9AMITFLMNANPC1 | |
| Hydrochloric Acid SCHEMBL5098239 | 0.76 | ADORA2A (0.43) | HTTRAB9AMITFLMNANPC1 | |
| SCHEMBL9673808 | 0.75 | NPC1 (0.51) | HTTRAB9AMITFLMNANPC1 | |
| SCHEMBL10360715 | 0.75 | HTT (0.54) | HTTRAB9AMITFLMNANPC1 | |
| SCHEMBL28854385 | 0.75 | SIGMAR1 (0.43) | POLBKMT2ASIGMAR1CYP3A4CYP2C19 | |
| SCHEMBL9234092 | 0.74 | HTT (0.57) | HTTRAB9AMITFLMNANPC1 | |
| SCHEMBL10884770 | 0.74 | HTT (0.53) | HTTRAB9AMITFLMNANPC1 | |
| SCHEMBL9763242 | 0.74 | HTT (0.55) | HTTRAB9AMITFLMNANPC1 |
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 6 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 | disclosed |
| 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 |
| 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 |
| 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-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 |
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 | HTT 4462/4885RAB9A 3974/4885MITF 3761/4885 |
“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.