Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.33 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.32 |
| ▸ | BID | P55957 | 2/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.32 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL28818083 | 0.84 | PDE5A (0.47) | PDE5ATPMTHCAR1OXER1ALDH1A1 | |
| SCHEMBL28006954 | 0.82 | PDE5A (0.45) | PDE5ATPMTHCAR1ALDH1A1CYP1A2 | |
| SCHEMBL28091103 | 0.81 | PDE5A (0.43) | PDE5ATPMTHCAR1PLA2G2AALDH1A1 | |
| Hexane SCHEMBL27639643 | 0.74 | TPMT (0.67) | TPMTHCAR1PLA2G2AALDH1A1TSHR | |
| SCHEMBL30762678 | 0.73 | TPMT (0.70) | TPMTHCAR1ALDH1A1 | |
| SCHEMBL696914 | 0.73 | TPMT (0.70) | TPMTHCAR1ALDH1A1 | |
| SCHEMBL2787514 | 0.72 | RARB (0.47) | PDE5AALDH1A1TSHR | |
| SCHEMBL31051696 | 0.72 | PPARG (0.39) | PDE5AAKR1C3AKR1C4PPARGPPARD | |
| SCHEMBL2817107 | 0.71 | TTR (0.53) | PDE5ABIDBCL2L1MCL1BAK1 | |
| SCHEMBL290446 | 0.71 | TTR (0.53) | PDE5ABIDBCL2L1MCL1BAK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105801425-A | Synthetic method of 5-methyl-1-(3,5-dibromophenyl)-1-hexene | 常州大学 | 2016-07-27 | — | — | CN | claimed |
| CN-105801425-A | Synthetic method of 5-methyl-1-(3,5-dibromophenyl)-1-hexene | 常州大学 | 2016-07-27 | — | — | CN | disclosed |