Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | AGXT | P21549 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13910001 | 0.82 | CYP1A2 (0.38) | CYP4F2CYP4A11 | |
| SCHEMBL13189266 | 0.79 | IDO1 (0.50) | ALDH1A1IDO1 | |
| SCHEMBL10091444 | 0.77 | CYP3A4 (0.52) | IDO1 | |
| SCHEMBL12626829 | 0.77 | IDO1 (0.52) | ALDH1A1IDO1AGXT | |
| SCHEMBL12824780 | 0.77 | TSHR (0.46) | ALDH1A1TSHRIDO1 | |
| SCHEMBL25329970 | 0.77 | TRPA1 (0.34) | TRPA1ALDH1A1TSHRCYP4F2CYP4A11 | |
| SCHEMBL2435561 | 0.76 | TSHR (0.52) | ALDH1A1TSHRIDO1AGXT | |
| SCHEMBL254119 | 0.75 | FFAR1 (0.43) | TRPA1ALDH1A1TSHR | |
| SCHEMBL4371209 | 0.73 | TRPA1 (0.43) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL7957581 | 0.72 | LPL (0.57) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011132051-A2 | TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-10-27 | — | — | WO | disclosed |