Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28319761 | 0.90 | ALDH1A1 (0.46) | TSHRALDH1A1CYP3A4CYP2D6IDO1 | |
| SCHEMBL13589937 | 0.84 | TSHR (0.49) | TSHRCYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7784137 | 0.82 | ALDH1A1 (0.44) | TSHRALDH1A1CYP3A4CA2CYP1A2 | |
| SCHEMBL28319762 | 0.81 | ALDH1A1 (0.47) | TSHRALDH1A1CYP3A4CA2 | |
| SCHEMBL4006592 | 0.80 | ALDH1A1 (0.42) | TSHRALDH1A1CYP3A4CA2CYP1A2 | |
| SCHEMBL5936011 | 0.79 | CYP3A4 (0.44) | TSHRALDH1A1CYP3A4CA2ALOX5 | |
| SCHEMBL27835896 | 0.79 | TSHR (0.45) | TSHRALDH1A1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL153633 | 0.78 | ALDH1A1 (0.47) | TSHRALDH1A1CYP3A4CA2 | |
| SCHEMBL29385746 | 0.78 | ALDH1A1 (0.47) | TSHRALDH1A1CYP3A4CA2 | |
| SCHEMBL29746097 | 0.77 | ALDH1A1 (0.44) | TSHRALDH1A1CYP3A4CA2ALOX5 |
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-106496366-B | A kind of olefin polymerization catalysis and its application | 中国石油化工股份有限公司 | 2019-06-18 | — | — | CN | disclosed |