Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1589426 | 0.86 | ESR1 (0.39) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL11685 | 0.86 | ESR1 (0.39) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL609900 | 0.86 | ESR1 (0.39) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL7961661 | 0.82 | CA1 (0.35) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL1589521 | 0.82 | CYP1A2 (0.39) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL2268223 | 0.76 | CYP2A6 (0.50) | CYP2A6CA1CA2CYP1A2ALOX15 | |
| SCHEMBL5865831 | 0.76 | TSHR (0.44) | CYP2A6ALOX15MAPK1IDO1 | |
| SCHEMBL3051159 | 0.76 | CYP1A2 (0.42) | CYP2A6CYP1A2ALOX15MAPK1HTR2A | |
| SCHEMBL5865837 | 0.75 | AOC3 (0.47) | MAPK1CES2CES1 | |
| SCHEMBL12013619 | 0.74 | CYP1A2 (0.41) | CYP2A6CYP1A2ALOX15MAPK1HTR2A |
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-7087789-B2 | Methods for nucleophilic fluoromethylation | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2006-08-08 | — | — | US | claimed |
| US-20040230079-A1 | Methods for nucleophilic fluoromethylation | SOUTHERN CALIFORNIA, UNIVERSITY OF | 2004-11-18 | — | — | US | claimed |
| WO-2004063129-A2 | METHODS FOR NUCLEOPHILIC FLUOROMETHYLATION | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2004-07-29 | — | — | WO | claimed |
| US-7087789-B2 | Methods for nucleophilic fluoromethylation | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2006-08-08 | — | — | US | disclosed |
| US-20040230079-A1 | Methods for nucleophilic fluoromethylation | SOUTHERN CALIFORNIA, UNIVERSITY OF | 2004-11-18 | — | — | US | disclosed |
| WO-2004063129-A2 | METHODS FOR NUCLEOPHILIC FLUOROMETHYLATION | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2004-07-29 | — | — | 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-20040230079-A1 | Methods for nucleophilic fluoromethylation | PHF2, HAO2, GSTM2 | CYP2A6 988/4885CA1 288/4885CA2 204/4885 |
“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.