Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | PDXK | O00764 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL20862093 | 1.00 | CYP3A4 (0.37) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL26281206 | 0.83 | PDXK (0.42) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL23723616 | 0.81 | CYP3A4 (0.37) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL27694985 | 0.77 | AXL (0.42) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL22129513 | 0.75 | CCR1 (0.41) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL30039332 | 0.75 | CCR1 (0.41) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL135431 | 0.75 | HSD17B10 (0.40) | CYP3A4CHRM1ALOX15TBXA2RADRA1A | |
| SCHEMBL1701190 | 0.75 | HSD17B10 (0.40) | CYP3A4CHRM1ALOX15TBXA2RADRA1A | |
| SCHEMBL23723621 | 0.74 | KCNJ5 (0.33) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL30607742 | 0.73 | PDXK (0.38) | CYP3A4CHRM1ALOX15MAOATBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| EP-4100124-A1 | HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS | Janssen Biotech, Inc. (US) | 2022-12-14 | — | — | EP | disclosed |
| CN-115427109-A | Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors | 詹森生物科技公司 | 2022-12-02 | — | — | CN | disclosed |