Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CPN1 | P15169 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL28794910 | 0.88 | ALDH1A1 (0.44) | CYP3A4CPN1CPB2TSHRALDH1A1 | |
| SCHEMBL5982792 | 0.80 | CYP3A4 (0.42) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL689304 | 0.79 | HDAC4 (0.42) | CYP3A4TSHRALDH1A1CA1CA2 | |
| SCHEMBL6557765 | 0.78 | ALDH1A1 (0.47) | TSHRALDH1A1MAPKAPK2TRPA1ESR1 | |
| SCHEMBL104340 | 0.76 | CYP3A4 (0.52) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL30349751 | 0.76 | CYP3A4 (0.52) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL272384 | 0.76 | CYP3A4 (0.52) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL957610 | 0.76 | IDO1 (0.41) | CYP3A4ALDH1A1MAOACYP2D6SLC6A2 | |
| SCHEMBL7554338 | 0.76 | ESR1 (0.58) | CYP3A4TSHRALDH1A1CA2CA9 | |
| SCHEMBL1888368 | 0.76 | CTSB (0.35) | CYP3A4TSHRALDH1A1CYP2D6SLC6A2 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4499026-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-02-12 | — | — | US | claimed |
| JP-60036466-A | — | — | None | — | — | JP | disclosed |
| CN-101184726-B | 2-arylpropionic acid derivatives and pharmaceutical compositions containing them | DOMPE PHA R MA SPA RES & MFG | 2012-05-30 | — | — | CN | disclosed |
| US-8080552-B2 | Pyrimidyl derivatives as protein kinase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2011-12-20 | — | — | US | disclosed |
| CN-101541766-B | Pyrimidyl derivatives as protein kinase inhibitors | HOFFMANN LA ROCHE | 2011-07-27 | — | — | CN | disclosed |
| US-7939521-B2 | 2-arylpropionic acid derivatives and pharmaceutical compositions containing them | DompePHA.R.MA S.p.A. (IT) | 2011-05-10 | — | — | US | disclosed |
| EP-2102173-B1 | PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-10-20 | — | — | EP | disclosed |
| US-20100041684-A1 | PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | HOFFMANN-LA ROCHE, INC. | 2010-02-18 | — | — | US | disclosed |
| EP-2102173-A1 | PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | disclosed |
| CN-101541766-A | Pyrimidyl derivatives as protein kinase inhibitors | HOFFMANN LA ROCHE (CH) | 2009-09-23 | — | — | CN | disclosed |
| WO-2008077548-A1 | PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-07-03 | — | — | WO | disclosed |
| CN-101184726-A | 2-arylpropionic acid derivatives and pharmaceutical compositions containing them | DOMPE PHA R MA SPA RES & MFG (IT) | 2008-05-21 | — | — | CN | disclosed |
| EP-1856031-A1 | 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMPE' pha.r.ma s.p.a. (IT) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006063999-A1 | 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMPE' PHA.R.MA.S.P.A. (IT) | 2006-06-22 | — | — | WO | disclosed |
| US-4502996-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| JP-S6036466-A | PYRIMIDYLAMINO-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE | HOKURIKU SEIYAKU CO LTD | 1985-02-25 | — | — | JP | disclosed |
| US-4499026-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-02-12 | — | — | US | disclosed |
| US-4323388-A | Cyanoalkyl-phenylureas having selective herbicidal activity | CIBA-GEIGY CORPORATION (US) | 1982-04-06 | — | — | US | disclosed |
| US-4243606-A | AZO DYE COUPLER INTERMEDIATES | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1981-01-06 | — | — | US | disclosed |
| US-4218369-A | FOR DYEING POLYACRYLONITRILE | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1980-08-19 | — | — | 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 (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-20100041684-A1 | PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | MAP3K5, MAP3K1, MAP4K2 | CYP3A4 1796/4885CASP1 3002/4885RECQL 1063/4885 |
“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.