Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CASR | P41180 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL3968014 | 0.80 | TSHR (0.50) | TRPA1TSHRSMN1; SMN2ALDH1A1HTT | |
| SCHEMBL21114422 | 0.80 | TSHR (0.50) | TRPA1TSHRSMN1; SMN2ALDH1A1HTT | |
| SCHEMBL252297 | 0.80 | CYP3A4 (0.37) | TSHRSMN1; SMN2ALDH1A1CASRCYP3A4 | |
| SCHEMBL11126131 | 0.76 | TSHR (0.38) | TRPA1TSHRSMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL28143991 | 0.76 | TSHR (0.42) | TRPA1TSHRSMN1; SMN2ALDH1A1HTT | |
| SCHEMBL15209920 | 0.73 | ALDH1A1 (0.36) | TRPA1TSHRALDH1A1CASRCYP3A4 | |
| SCHEMBL8418591 | 0.73 | ALDH1A1 (0.36) | TRPA1ALDH1A1CASRCYP3A4 | |
| SCHEMBL1201089 | 0.73 | TRPA1 (0.43) | TRPA1TSHRALDH1A1HTTL3MBTL1 | |
| SCHEMBL4437005 | 0.73 | TSHR (0.43) | TRPA1TSHRSMN1; SMN2ALDH1A1HTT | |
| SCHEMBL28792130 | 0.73 | TRPA1 (0.43) | TRPA1TSHRALDH1A1HTTL3MBTL1 |
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-2018035660-A1 | POROUS CHIRAL MATERIALS AND USES THEREOF | NANKAI UNIVERSITY (CN) | 2018-03-01 | — | — | WO | disclosed |