Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 6/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NR5A2 | O00482 | 3/20 | 0.31 |
| ▸ | NR5A1 | Q13285 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15809994 | 1.00 | TRPA1 (0.51) | TRPA1ESR1PGRHTR2ASLC6A3 | |
| SCHEMBL11971169 | 1.00 | TRPA1 (0.51) | TRPA1ESR1PGRHTR2ASLC6A3 | |
| SCHEMBL11966324 | 0.87 | TRPA1 (0.70) | TRPA1ESR1PGRHTR2ASLC6A3 | |
| SCHEMBL11954729 | 0.87 | TRPA1 (0.70) | TRPA1ESR1PGRHTR2ASLC6A3 | |
| SCHEMBL15809945 | 0.87 | TRPA1 (0.70) | TRPA1ESR1PGRHTR2ASLC6A3 | |
| SCHEMBL14644 | 0.82 | TRPA1 (0.52) | TRPA1ESR1PGRHTR2ASLC6A3 | |
| SCHEMBL12095 | 0.82 | TRPA1 (0.52) | TRPA1ESR1PGRHTR2ASLC6A3 | |
| SCHEMBL15809773 | 0.82 | TRPA1 (0.52) | TRPA1ESR1PGRHTR2ASLC6A3 | |
| SCHEMBL11966306 | 0.81 | TRPA1 (0.74) | TRPA1ESR1PGRHTR2ASLC6A3 | |
| SCHEMBL11895629 | 0.81 | TRPA1 (0.74) | TRPA1ESR1PGRHTR2ASLC6A3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2485737-B1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-06-25 | — | — | EP | claimed |
| EP-2485737-A1 | NOVEL TRPA1 ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-08-15 | — | — | EP | claimed |
| WO-2011043954-A1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | WO | claimed |
| US-8829196-B2 | TRPA1 antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-09-09 | — | — | US | disclosed |
| US-8829196-B2 | TRPA1 antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-09-09 | — | — | US | disclosed |
| EP-2485737-B1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-06-25 | — | — | EP | disclosed |
| EP-2485737-B1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-06-25 | — | — | EP | disclosed |
| US-20120196894-A1 | NOVEL TRPA1 ANTAGONISTS | SCHERING CORPORATION | 2012-08-02 | — | — | US | disclosed |
| US-20120196894-A1 | NOVEL TRPA1 ANTAGONISTS | SCHERING CORPORATION | 2012-08-02 | — | — | 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-20120196894-A1 | NOVEL TRPA1 ANTAGONISTS | TRPA1, TRPV1, TRPV2 | TRPA1 1/4885ESR1 3872/4885PGR 4490/4885 |
“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.