Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Terpin SCHEMBL19192 | 1.00 | TRPA1 (0.40) | TRPA1ALDH1A1TDP1ESR2PTGS1 | |
| Terpin SCHEMBL5377815 | 1.00 | TRPA1 (0.40) | TRPA1ALDH1A1TDP1ESR2PTGS1 | |
| Terpin SCHEMBL29867 | 0.98 | TRPA1 (0.39) | TRPA1ALDH1A1TDP1ESR2PTGS1 | |
| Terpin SCHEMBL2487459 | 0.98 | TRPA1 (0.39) | TRPA1ALDH1A1TDP1ESR2PTGS1 | |
| Terpin SCHEMBL5177695 | 0.95 | TRPA1 (0.38) | TRPA1ALDH1A1TDP1ESR2PTGS1 | |
| Terpin SCHEMBL12506199 | 0.89 | PTGS1 (0.36) | TRPA1ALDH1A1TDP1ESR2PTGS1 | |
| Terpin SCHEMBL5823396 | 0.89 | PTGS1 (0.39) | TRPA1ALDH1A1TDP1ESR2PTGS1 | |
| SCHEMBL12384745 | 0.82 | ALDH1A1 (0.39) | TRPA1ALDH1A1TDP1ESR2PTGS1 | |
| SCHEMBL13900364 | 0.82 | ALDH1A1 (0.39) | TRPA1ALDH1A1TDP1ESR2PTGS1 | |
| SCHEMBL10013221 | 0.82 | ALDH1A1 (0.39) | TRPA1ALDH1A1TDP1ESR2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |