Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.59 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.59 |
| ▸ | DRD1 | P21728 | 1/20 | 0.59 |
| ▸ | HRH2 | P25021 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | HRH1 | P35367 | 1/20 | 0.59 |
| ▸ | DRD3 | P35462 | 1/20 | 0.59 |
| ▸ | SCN1A | P35498 | 1/20 | 0.59 |
| ▸ | THPO | P40225 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11858247 | 0.95 | CYP3A4 (0.66) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL23225661 | 0.95 | CYP3A4 (0.61) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL23225659 | 0.95 | CYP3A4 (0.66) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL7733840 | 0.93 | CYP3A4 (0.63) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL20103745 | 0.91 | CYP3A4 (0.61) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL3637470 | 0.90 | CYP3A4 (0.47) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL9013443 | 0.89 | CYP3A4 (0.55) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL1311224 | 0.89 | CYP3A4 (0.52) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL18477543 | 0.87 | CYP3A4 (0.54) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| Hydrochloric Acid SCHEMBL5729678 | 0.87 | CYP3A4 (0.53) | CYP3A4LMNATSHRABCB11CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021072140-A1 | PRODRUGS OF MYELOPEROXIDASE INHIBITORS | BIOHAVEN THERAPEUTICS LTD. (US) | 2021-04-15 | — | — | WO | disclosed |