Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | TRPC5 | Q9UL62 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11895391 | 0.91 | TRPA1 (0.73) | TRPA1GAATRPC5NPC1POLB | |
| SCHEMBL11895888 | 0.86 | TRPA1 (0.62) | TRPA1GAATRPC5ESR1PGR | |
| SCHEMBL11895996 | 0.84 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL11895381 | 0.84 | TRPA1 (0.63) | TRPA1GAATRPC5NPC1POLB | |
| SCHEMBL11895691 | 0.83 | TRPA1 (0.61) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL11550 | 0.82 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL11954712 | 0.81 | TRPA1 (1.00) | TRPA1TRPC5NPC1RAB9AESR1 | |
| SCHEMBL11966013 | 0.81 | TRPA1 (1.00) | TRPA1TRPC5NPC1RAB9AESR1 | |
| SCHEMBL3256 | 0.81 | TRPA1 (1.00) | TRPA1TRPC5NPC1RAB9AESR1 | |
| SCHEMBL11895775 | 0.79 | TRPA1 (0.71) | TRPA1GAATRPC5NPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 1/4885GAA 4627/4885TRPC5 15/4885 |
“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.