Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18622091 | 0.84 | KEAP1 (0.50) | CYP2A6ALDH1A1KEAP1NFE2L2ACHE | |
| SCHEMBL17664102 | 0.80 | MAOA (0.45) | CYP2A6ALDH1A1LOXL2HRH3CYP11B1 | |
| SCHEMBL13401234 | 0.79 | KEAP1 (0.44) | HRH3KEAP1NFE2L2CYP1A2 | |
| SCHEMBL14346503 | 0.78 | CYP2A6 (0.73) | CYP2A6ALDH1A1LOXL2HRH3CYP11B1 | |
| SCHEMBL23742239 | 0.78 | LOXL2 (0.43) | CYP2A6ALDH1A1LOXL2HRH3MBOAT4 | |
| SCHEMBL5652510 | 0.77 | ESR1 (0.46) | ALDH1A1IDH1KEAP1NFE2L2ACHE | |
| SCHEMBL13401245 | 0.77 | KEAP1 (0.43) | HRH3KEAP1NFE2L2CYP1A2 | |
| SCHEMBL17664027 | 0.77 | KEAP1 (0.43) | ALDH1A1KEAP1NFE2L2 | |
| SCHEMBL13562421 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KEAP1NFE2L2CYP3A4CYP2C19 | |
| SCHEMBL17663986 | 0.77 | SMO (0.46) | LOXL2HRH3CYP19A1MBOAT4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3209732-B1 | SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS | SCRIPPS RESEARCH INST (US) | 2021-08-04 | — | — | EP | disclosed |