Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL15153244 | 0.93 | ALDH1A1 (0.67) | ALDH1A1CYP2C9CYP2C19CYP3A4CA1 | |
| SCHEMBL6264973 | 0.88 | PDE4D (0.73) | ALDH1A1CYP2C9CYP2C19CYP3A4PDE4D | |
| SCHEMBL12266478 | 0.88 | PDE4D (0.73) | ALDH1A1CYP2C9CYP2C19CYP3A4CA1 | |
| SCHEMBL12264387 | 0.86 | ALDH1A1 (0.67) | ALDH1A1CYP2C9CYP2C19CYP3A4CA1 | |
| SCHEMBL14133072 | 0.86 | MEN1 (0.64) | ALDH1A1CYP2C9CYP2C19CYP3A4CA1 | |
| SCHEMBL650664 | 0.85 | PDE4D (0.57) | ALDH1A1CYP2C9CYP2C19CYP3A4PDE4D | |
| SCHEMBL3390032 | 0.85 | ALDH1A1 (0.65) | ALDH1A1CYP2C9CYP2C19CYP3A4CA1 | |
| SCHEMBL28747558 | 0.81 | ADORA3 (0.57) | ALDH1A1CYP2C9CYP2C19CYP3A4CA1 | |
| SCHEMBL2919412 | 0.80 | ALDH1A1 (0.73) | ALDH1A1CYP2C9CYP2C19CYP3A4CA1 | |
| SCHEMBL4494401 | 0.80 | CYP2C9 (0.69) | ALDH1A1CYP2C9CYP2C19CYP3A4CA1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2552895-B1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | Westfälische Wilhelms Universität Münster (DE) | 2015-02-25 | — | — | EP | disclosed |
| US-8716485-B2 | Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines | WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) | 2014-05-06 | — | — | US | disclosed |
| US-8716485-B2 | Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines | WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) | 2014-05-06 | — | — | US | disclosed |
| US-8716485-B2 | Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines | WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) | 2014-05-06 | — | — | US | disclosed |
| US-20130012715-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) | 2013-01-10 | — | — | US | disclosed |
| US-20130012715-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) | 2013-01-10 | — | — | US | disclosed |
| US-20130012715-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) | 2013-01-10 | — | — | US | disclosed |
| US-20120302581-A1 | Methods and Compositions for the Treatment of RAS Associated Disorders | THE TRUSTEES OF DARTMOUTH COLLEGE | 2012-11-29 | — | — | US | disclosed |
| US-20120302581-A1 | Methods and Compositions for the Treatment of RAS Associated Disorders | THE TRUSTEES OF DARTMOUTH COLLEGE | 2012-11-29 | — | — | US | disclosed |
| WO-2011120861-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) | 2011-10-06 | — | — | WO | disclosed |
| US-5908852-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G. D. SEARLE & CO. (US) | 1999-06-01 | — | — | US | 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 (2 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-20130012715-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | PC, ENO1, PDK2 | ALDH1A1 361/4885CYP2C9 62/4885CYP2C19 81/4885 |
| US-20120302581-A1 | Methods and Compositions for the Treatment of RAS Associated Disorders | NRAS, HRAS, KRAS | ALDH1A1 3966/4885CYP2C9 4875/4885CYP2C19 4827/4885 |
“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.