Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21694155 | 0.85 | ALDH1A1 (0.57) | TSHRCYP3A4PIK3CAALDH1A1TDP1 | |
| SCHEMBL11204587 | 0.82 | ALDH1A1 (0.63) | TSHRCYP3A4PTPN1ALDH1A1TDP1 | |
| SCHEMBL21694161 | 0.80 | CD44 (0.48) | TSHRCYP3A4PIK3CAPTPN1ALDH1A1 | |
| SCHEMBL22182755 | 0.80 | HTR1B (0.55) | TSHRPTPN1ALDH1A1TDP1MAPT | |
| SCHEMBL19400221 | 0.80 | MAPK1 (0.47) | TSHRCYP3A4PTPN1ALDH1A1TDP1 | |
| SCHEMBL1141313 | 0.80 | ALDH1A1 (0.67) | TSHRCYP3A4PIK3CAALDH1A1TDP1 | |
| SCHEMBL29617909 | 0.79 | PTPN1 (0.42) | PTPN1ALDH1A1TDP1ADRA2BPTGS1 | |
| SCHEMBL24596979 | 0.79 | ALDH1A1 (0.41) | TSHRCYP3A4PIK3CAPTPN1ALDH1A1 | |
| SCHEMBL3081933 | 0.79 | ALDH1A1 (0.41) | TSHRCYP3A4PTPN1ALDH1A1TDP1 | |
| SCHEMBL363904 | 0.79 | ALDH1A1 (0.41) | TSHRCYP3A4PIK3CAPTPN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106045923-A | Histone deacetylase inhibitor and preparation method and application thereof | 广东众生药业股份有限公司 | 2016-10-26 | — | — | CN | disclosed |