Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL15346705 | 0.80 | EPHX1 (0.44) | EPHX1SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL6399707 | 0.77 | CYP1A2 (0.50) | EPHX1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL8539091 | 0.77 | CYP1A2 (0.51) | EPHX1CYP1A2CYP2A6 | |
| SCHEMBL3363196 | 0.75 | EPHX1 (0.48) | EPHX1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL29154505 | 0.74 | PDPK1 (0.49) | EPHX1MCHR1CYP1A2CYP2A6 | |
| Bromide SCHEMBL5549143 | 0.74 | EPHX1 (0.47) | EPHX1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL3647202 | 0.74 | DRD4 (0.43) | EPHX1SIGMAR1MCHR1ACEL3MBTL1 | |
| SCHEMBL10752204 | 0.73 | KDM4E (0.47) | EPHX1CYP1A2CYP2A6 | |
| SCHEMBL11781163 | 0.73 | CYP1A2 (0.46) | EPHX1SIGMAR1MCHR1CYP1A2CYP2A6 | |
| SCHEMBL921478 | 0.72 | L3MBTL1 (0.51) | SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4276305-A | INSECTICIDES, MITICIDES | HOFFMANN-LA ROCHE INC. (US) | 1981-06-30 | — | — | US | disclosed |