Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 5/20 | 0.33 |
| ▸ | RXRA | P19793 | 4/20 | 0.33 |
| ▸ | RXRG | P48443 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28990026 | 0.90 | GABRA1 (0.41) | GABRA1GABRB2RXRBRXRARXRG | |
| SCHEMBL9241814 | 0.86 | GABRA1 (0.46) | GABRA1GABRB2RXRBRXRARXRG | |
| SCHEMBL948938 | 0.81 | GABRA1 (0.44) | GABRA1GABRB2RXRBRXRARXRG | |
| SCHEMBL30403445 | 0.79 | CYP3A4 (0.44) | RXRBRXRAPOLBALDH1A1HPGD | |
| SCHEMBL28357573 | 0.79 | CYP3A4 (0.44) | RXRBRXRAPOLBALDH1A1HPGD | |
| SCHEMBL29819385 | 0.78 | GABRA1 (0.43) | GABRA1GABRB2RXRBRXRARXRG | |
| SCHEMBL1160405 | 0.77 | MAPT (0.47) | RXRBRXRAALDH1A1HPGDALOX15 | |
| SCHEMBL11452731 | 0.76 | MAPT (0.45) | RXRBRXRAALDH1A1HPGDALOX15 | |
| SCHEMBL28990025 | 0.74 | GABRA1 (0.43) | GABRA1GABRB2RXRBRXRARXRG | |
| SCHEMBL11421838 | 0.74 | GABRA1 (0.38) | GABRA1GABRB2RXRAPOLBALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110724165-B | Hexahydrotriazine compound with thermal oxidation resistance and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | claimed |
| CN-110724165-A | Hexahydrotriazine compound with thermal oxidation resistance and preparation method and application thereof | 万华化学集团股份有限公司 | 2020-01-24 | — | — | CN | claimed |
| CN-110724165-B | Hexahydrotriazine compound with thermal oxidation resistance and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-110724165-A | Hexahydrotriazine compound with thermal oxidation resistance and preparation method and application thereof | 万华化学集团股份有限公司 | 2020-01-24 | — | — | CN | disclosed |