Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28297202 | 0.87 | TSHR (0.39) | CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15 | |
| SCHEMBL435211 | 0.83 | AHR (0.48) | ALDH1A1TSHRSMN1; SMN2TP53HPGD | |
| SCHEMBL433433 | 0.83 | GRM2 (0.36) | AHR | |
| SCHEMBL15622693 | 0.77 | TSHR (0.46) | CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15 | |
| SCHEMBL2500848 | 0.75 | TSHR (0.45) | CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15 | |
| SCHEMBL433164 | 0.74 | ALOX5 (0.42) | ALDH1A1TSHRSMN1; SMN2TP53HPGD | |
| SCHEMBL14906969 | 0.73 | ALDH1A1 (0.56) | CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15 | |
| SCHEMBL17867987 | 0.73 | TSHR (0.46) | CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15 | |
| SCHEMBL4148009 | 0.73 | SMN1; SMN2 (0.46) | CYP3A4ALDH1A1TSHRSMN1; SMN2ALOX15 | |
| SCHEMBL17514779 | 0.72 | NISCH (0.38) | ALDH1A1SMN1; SMN2TP53HPGDHSD17B10 |
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-109906220-A | For treating the 1,3- dihydro -1,4- benzodiazepine * -2- thione compounds of CNS related disease | 豪夫迈·罗氏有限公司 | 2019-06-18 | — | — | CN | disclosed |