Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRB | P28702 | 7/20 | 0.53 |
| ▸ | RXRA | P19793 | 6/20 | 0.53 |
| ▸ | RXRG | P48443 | 3/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL28519685 | 1.00 | RXRB (0.53) | RXRBRXRARXRGTACR1KIF11 | |
| SCHEMBL30388543 | 0.91 | RXRB (0.64) | RXRBRXRARXRGTACR1KIF11 | |
| SCHEMBL11646120 | 0.86 | RXRB (0.59) | RXRBRXRARXRGKIF11ALDH1A1 | |
| SCHEMBL30096028 | 0.84 | RXRB (0.57) | RXRBRXRARXRGKIF11ALDH1A1 | |
| SCHEMBL27757672 | 0.84 | RXRB (0.62) | RXRBRXRARXRGKIF11ALDH1A1 | |
| Phenol SCHEMBL28079008 | 0.83 | GABRA1 (0.54) | RXRBRXRARXRGTACR1TSHR | |
| SCHEMBL1655430 | 0.83 | GABRA1 (0.55) | RXRBRXRARXRGTACR1TSHR | |
| SCHEMBL5546207 | 0.81 | RXRB (0.53) | RXRBRXRARXRGKIF11ALDH1A1 | |
| SCHEMBL26149393 | 0.81 | RXRB (0.53) | RXRBRXRARXRGKIF11ALDH1A1 | |
| Bromide SCHEMBL28692201 | 0.78 | RXRB (0.61) | RXRBRXRARXRGKIF11CNR1 |
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-108191648-A | A kind of method of coproduction 3- methyl-1s, 5- pentanediols and C1 ~ C6 alcohol | 万华化学集团股份有限公司 | 2018-06-22 | — | — | CN | claimed |
| CN-108191648-B | Method for co-production of 3-methyl-1, 5-pentanediol and C1-C6 alcohol | 万华化学集团股份有限公司 | 2021-03-09 | — | — | CN | disclosed |
| CN-108191648-A | A kind of method of coproduction 3- methyl-1s, 5- pentanediols and C1 ~ C6 alcohol | 万华化学集团股份有限公司 | 2018-06-22 | — | — | CN | disclosed |