Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28750316 | 0.90 | ALDH1A1 (0.47) | TRPA1TSHRALDH1A1CYP1A2MAPT | |
| SCHEMBL634548 | 0.83 | CES2 (0.50) | TRPA1CES2CES1ALOX15TSHR | |
| SCHEMBL11098527 | 0.83 | ALDH1A1 (0.47) | TRPA1CES2CES1ALOX15TSHR | |
| SCHEMBL20159736 | 0.82 | CES2 (0.48) | CES2CES1ALDH1A1GSK3BCA1 | |
| SCHEMBL6696044 | 0.82 | CA1 (0.47) | CES2ALOX15ALDH1A1GSK3BCA1 | |
| SCHEMBL30173827 | 0.79 | TSHR (0.50) | TSHRMAPTSRD5A2 | |
| SCHEMBL4105436 | 0.79 | TSHR (0.50) | TSHRMAPTSRD5A2 | |
| SCHEMBL2026667 | 0.79 | PGR (0.48) | CES2CES1TSHRALDH1A1CYP1A2 | |
| SCHEMBL2625462 | 0.79 | CES2 (0.54) | TRPA1CES2CES1ALOX15TSHR | |
| SCHEMBL20995299 | 0.79 | CES2 (0.54) | TRPA1CES2CES1ALOX15TSHR |
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-2005092896-A1 | COMPOUND FOR INHIBITING TYROSINE KINASE ACTIVITY OF DDR2 PROTEIN | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2005-10-06 | — | — | WO | disclosed |