Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL3879390 | 0.79 | TRPA1 (0.45) | TRPA1ATMCXCR2ALDH1A1CA12 | |
| SCHEMBL28647773 | 0.75 | ALDH1A1 (0.44) | TRPA1ATMCXCR2ALDH1A1CA12 | |
| SCHEMBL3879540 | 0.75 | TRPA1 (0.41) | TRPA1ATMCXCR2ALDH1A1CA12 | |
| SCHEMBL3879337 | 0.74 | CXCR2 (0.46) | TRPA1ATMCXCR2ALDH1A1DHODH | |
| SCHEMBL10814735 | 0.70 | TRPA1 (0.52) | TRPA1ATMCXCR2ALDH1A1CA12 | |
| SCHEMBL28057157 | 0.69 | TRPA1 (0.50) | TRPA1ATMCXCR2ALDH1A1CA12 | |
| SCHEMBL27345276 | 0.69 | TRPA1 (0.50) | TRPA1ATMCXCR2ALDH1A1CA12 | |
| SCHEMBL7206671 | 0.68 | LTC4S (0.44) | CYP1A2LMNAGAA | |
| SCHEMBL7690875 | 0.67 | TRPA1 (0.40) | TRPA1ATMCXCR2ALDH1A1DHODH | |
| SCHEMBL1004808 | 0.66 | ALDH1A1 (0.40) | TRPA1ATMALDH1A1DHODHCYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7589127-B2 | Aminoalkylphenols, methods of using and making the same | MERCK & CO., INC. (US) | 2009-09-15 | — | — | US | disclosed |
| US-20050234265-A1 | Aminoalkylphenols, methods of using and making the same | MERCK SHARP & DOHME LLC | 2005-10-20 | — | — | 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-20050234265-A1 | Aminoalkylphenols, methods of using and making the same | NPEPPS, PHOSPHO1, LNPEP | TRPA1 2720/4885ATM 2544/4885CXCR2 4729/4885 |
“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.