Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11576225 | 0.89 | HTR2A (0.58) | CYP2A6HTR2AALDH1A1MAPK1TDP1 | |
| SCHEMBL7269836 | 0.80 | CYP2A6 (0.53) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL3105616 | 0.78 | SLC6A2 (0.37) | CYP2A6HTR2ACYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL22558308 | 0.76 | CYP2A6 (0.57) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL1989430 | 0.76 | CYP2A6 (0.57) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL810756 | 0.75 | CYP2A6 (0.47) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL15111083 | 0.75 | CYP2A6 (0.47) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL12880577 | 0.73 | CES2 (0.48) | HTR2AMAPK1TSHRCES2CES1 | |
| SCHEMBL16099537 | 0.73 | CYP2A6 (0.44) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL10744583 | 0.73 | CYP2A6 (0.44) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1268494-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | Merck Frosst Canada & Co. (CA) | 2003-01-02 | — | — | EP | disclosed |
| US-6498151-B2 | PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS | MERCK FROSST CANADA & CO. (CA) | 2002-12-24 | — | — | US | disclosed |
| US-20020091104-A1 | Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors | MERCK FROSST CANADA LTD. (CA) | 2002-07-11 | — | — | US | disclosed |
| WO-2001070753-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-09-27 | — | — | WO | disclosed |
| EP-0361204-B1 | Optical recording materials, method for preparing the same and optical cards having the same | ASAHI CHEMICAL IND (JP) | 1994-11-30 | — | — | EP | disclosed |
| US-4327176-A | IMPACT RESISTANT ACRYLIC ESTER RESIN BINDER | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1982-04-27 | — | — | US | disclosed |
| US-4268626-A | Dry image forming material | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1981-05-19 | — | — | US | disclosed |
| US-4188226-A | OXIDIZER, REDUCER, HALOGENATED CARBOCYCLIC COMPOUND | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1980-02-12 | — | — | 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-20020091104-A1 | Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors | PTPRF, PTPRS, PTPRO | CYP2A6 408/4885HTR2A 3553/4885CYP1A2 2543/4885 |
“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.