Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11017797 | 0.98 | ESR2 (0.50) | ESR2CYP1A2AHRHSD17B1HSD17B2 | |
| SCHEMBL4300888 | 0.88 | AHR (0.55) | ESR2AHRALDH1A1TDP1MEN1 | |
| Ether SCHEMBL11017793 | 0.87 | RAB9A (0.43) | ESR2CYP1A2ERCC5FEN1KDM4E | |
| SCHEMBL16168616 | 0.84 | AHR (0.46) | ESR2AHRALDH1A1TDP1L3MBTL1 | |
| SCHEMBL23627967 | 0.82 | L3MBTL1 (0.53) | CYP1A2ALDH1A1TDP1L3MBTL1KDM4E | |
| SCHEMBL31614097 | 0.82 | ESR2 (0.57) | ESR2CYP1A2AHRTNKS2ALOX5 | |
| SCHEMBL1755256 | 0.82 | ESR2 (0.57) | ESR2CYP1A2AHRTNKS2ALOX5 | |
| SCHEMBL28210399 | 0.80 | ESR2 (0.53) | ESR2AHRHSD17B1HSD17B2ALOX5 | |
| SCHEMBL18970409 | 0.79 | TAAR1 (0.50) | ESR2TNKS2MAPTHPGDPTGS2 | |
| SCHEMBL621796 | 0.78 | ESR2 (0.53) | ESR2CYP1A2AHRHSD17B1HSD17B2 |
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-8093245-B2 | Anticancer agents; potent Deoxycytidine kinase inhibitors; inhibit thymidine kinase; inhibit uridine kinase; N-[3-(4-amino-5-fluoro-2-oxo-2H-pyrimidin-1-yl)-cyclopentyl]-3-bromo-benzenesulfonamide | LEXICON PHARMACEUTICALS, INC. (US) | 2012-01-10 | — | — | US | disclosed |
| US-20080182847-A1 | 4-AMINO-1H-PYRIMIDIN-2-ONE BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2008-07-31 | — | — | US | disclosed |
| US-20040167193-A1 | Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof | SUMITOMO CHEMICAL COMPANY, LIMITED | 2004-08-26 | — | — | US | disclosed |
| US-6762197-B2 | FUNGICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-07-13 | — | — | US | disclosed |
| US-20030119670-A1 | Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-06-26 | — | — | US | disclosed |
| EP-1238975-A1 | DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF | Sumitomo Chemical Company, Limited (JP) | 2002-09-11 | — | — | EP | 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 (3 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-20040167193-A1 | Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof | CYP51A1, DPM1, CYP1A1 | ESR2 3163/4885CYP1A2 40/4885AHR 134/4885 |
| US-20080182847-A1 | 4-AMINO-1H-PYRIMIDIN-2-ONE BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE | TPMT, DHFR, GLS2 | ESR2 366/4885CYP1A2 301/4885AHR 379/4885 |
| US-20030119670-A1 | Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof | CYP51A1, DPM1, CYP1A1 | ESR2 3163/4885CYP1A2 40/4885AHR 134/4885 |
“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.