Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22733404 | 0.79 | TRPA1 (0.36) | TRPA1CES2LMNAALDH1A1TDP1 | |
| SCHEMBL19386556 | 0.77 | TRPA1 (0.39) | TRPA1CES2LMNAALDH1A1TDP1 | |
| SCHEMBL17586756 | 0.72 | TRPA1 (0.33) | TRPA1 | |
| Terpin SCHEMBL12506199 | 0.71 | PTGS1 (0.36) | TRPA1CES2ALDH1A1TDP1 | |
| Terpin SCHEMBL9536260 | 0.70 | TRPA1 (0.40) | TRPA1CES2LMNAALDH1A1TDP1 | |
| Terpin SCHEMBL5377815 | 0.70 | TRPA1 (0.40) | TRPA1CES2LMNAALDH1A1TDP1 | |
| Terpin SCHEMBL19192 | 0.70 | TRPA1 (0.40) | TRPA1CES2LMNAALDH1A1TDP1 | |
| SCHEMBL562197 | 0.70 | ESR2 (0.40) | TRPA1CES2LMNAALDH1A1TDP1 | |
| SCHEMBL7526154 | 0.69 | LMNA (0.42) | TRPA1CES2LMNA | |
| SCHEMBL456619 | 0.69 | — | — |
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-3189054-B1 | (1-FLUORO-CYCLOHEX-1-YL)-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER | MERCK PATENT GMBH (DE) | 2019-07-24 | — | — | EP | disclosed |