Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 12/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19873549 | 1.00 | CHRM3 (0.35) | CHRM3CHRM2CHRM1APPKDM1A | |
| SCHEMBL19873629 | 0.94 | CHRM3 (0.35) | CHRM3CHRM2CHRM1APPKDM1A | |
| SCHEMBL19873627 | 0.94 | CHRM3 (0.35) | CHRM3CHRM2CHRM1APPKDM1A | |
| SCHEMBL19873587 | 0.93 | CHRM3 (0.34) | CHRM3CHRM2CHRM1APPKDM1A | |
| SCHEMBL19873614 | 0.93 | LPAR1 (0.36) | CHRM3CHRM2CHRM1APPKDM1A | |
| SCHEMBL19873611 | 0.93 | LPAR1 (0.36) | CHRM3CHRM2CHRM1APPKDM1A | |
| SCHEMBL19873661 | 0.92 | LPAR1 (0.39) | CHRM3CHRM2CHRM1LPAR1CTSA | |
| SCHEMBL19873664 | 0.92 | LPAR1 (0.39) | CHRM3CHRM2CHRM1LPAR1CTSA | |
| SCHEMBL19873624 | 0.91 | JAK2 (0.40) | CHRM3CHRM2CHRM1LPAR1 | |
| SCHEMBL19873616 | 0.91 | CHRM3 (0.34) | CHRM3CHRM2CHRM1APPKDM1A |
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-3360869-B1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. | UBE INDUSTRIES (JP) | 2020-07-29 | — | — | EP | claimed |
| EP-2940013-B1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND | UBE INDUSTRIES (JP) | 2018-02-21 | — | — | EP | claimed |