Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12738658 | 1.00 | TRPA1 (0.39) | TRPA1MMEAOC3HTTIDO1 | |
| SCHEMBL9283159 | 0.83 | ALDH1A1 (0.42) | TRPA1MMEAOC3HTTIDO1 | |
| SCHEMBL9229402 | 0.83 | ALDH1A1 (0.42) | TRPA1MMEAOC3HTTIDO1 | |
| SCHEMBL12872171 | 0.80 | ESR1 (0.45) | TRPA1AOC3HTTIDO1TDO2 | |
| SCHEMBL26331113 | 0.80 | TRPA1 (0.38) | TRPA1MMEAOC3HTTIDO1 | |
| SCHEMBL12224067 | 0.78 | AOC3 (0.43) | TRPA1AOC3HTTALDH1A1LMNA | |
| SCHEMBL14815387 | 0.78 | AOC3 (0.43) | TRPA1MMEAOC3HTTALDH1A1 | |
| SCHEMBL15087365 | 0.78 | AOC3 (0.43) | TRPA1MMEAOC3HTTALDH1A1 | |
| SCHEMBL25016648 | 0.77 | ADRB2 (0.48) | AOC3HTTIDO1TDO2LMNA | |
| SCHEMBL3233268 | 0.77 | ESR1 (0.58) | ALDH1A1LMNASLC6A2SLC6A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170320882-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-11-09 | — | — | 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-20170320882-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MAPK1, MAPK4, MAPK10 | TRPA1 4408/4885MME 3103/4885AOC3 4214/4885 |
“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.