Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.43 |
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28090813 | 0.81 | PDE5A (0.42) | PDE5ATPMTALDH1A1HCAR1PLA2G2A | |
| SCHEMBL28818083 | 0.73 | PDE5A (0.47) | PDE5ATPMTALDH1A1HCAR1CYP1A2 | |
| SCHEMBL28006954 | 0.71 | PDE5A (0.45) | PDE5ATPMTALDH1A1MAPTHPGD | |
| Hexane SCHEMBL27639643 | 0.69 | TPMT (0.67) | TPMTALDH1A1MAPTHCAR1PLA2G2A | |
| SCHEMBL696914 | 0.68 | TPMT (0.70) | TPMTALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL30762678 | 0.68 | TPMT (0.70) | TPMTALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL27986574 | 0.67 | PDE5A (0.49) | PDE5AALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28091102 | 0.67 | — | — | |
| SCHEMBL8086133 | 0.65 | CA12 (0.51) | PDE5ATPMTALDH1A1HPGDTSHR | |
| SCHEMBL8086134 | 0.65 | CA12 (0.51) | PDE5ATPMTALDH1A1HPGDTSHR |
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 |