Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2572909 | 0.87 | HTT (0.37) | HTTTSHRALDH1A1IDO1TDO2 | |
| SCHEMBL10506241 | 0.87 | IDO1 (0.38) | HTTTSHRALDH1A1IDO1TDO2 | |
| SCHEMBL6678844 | 0.87 | HTT (0.44) | HTTTSHRALDH1A1IDO1TDO2 | |
| SCHEMBL19688012 | 0.84 | TRPA1 (0.42) | MAOATAAR1CYP2D6 | |
| SCHEMBL28343109 | 0.82 | HTT (0.39) | HTTTSHRALDH1A1IDO1TDO2 | |
| SCHEMBL27570171 | 0.82 | HTT (0.46) | HTTTSHRALDH1A1IDO1TDO2 | |
| SCHEMBL9734906 | 0.82 | TSHR (0.48) | TSHRNOS3NOS1NOS2LMNA | |
| SCHEMBL29573338 | 0.79 | TSHR (0.59) | HTTTSHRALDH1A1IDO1TDO2 | |
| SCHEMBL4441634 | 0.79 | HTT (0.43) | HTTTSHRALDH1A1IDO1TDO2 | |
| SCHEMBL3708329 | 0.79 | TSHR (0.59) | HTTTSHRALDH1A1IDO1TDO2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110627831-A | Bibiaryl acetal phosphines, their preparation and use in coupling reactions | 东莞市均成高新材料有限公司 | 2019-12-31 | — | — | CN | disclosed |
| WO-2012031090-A2 | SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-03-08 | — | — | WO | disclosed |
| CN-1223659-A | Fused imidazopyridine derivatives as antihyperlipidemic agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-07-21 | — | — | CN | disclosed |