Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19567561 | 0.86 | KMT2A (0.44) | KMT2AKCNH2SIGMAR1ALDH1A1 | |
| SCHEMBL19567198 | 0.86 | ALDH1A1 (0.54) | KCNH2ALDH1A1TSHR | |
| SCHEMBL19567529 | 0.85 | SIGMAR1 (0.58) | DRD2MEN1KMT2AKCNH2SIGMAR1 | |
| SCHEMBL20782144 | 0.84 | CXCR3 (0.47) | CXCR3CHRM3DRD4OPRM1DRD2 | |
| SCHEMBL20782064 | 0.84 | CXCR3 (0.46) | CXCR3CHRM3DRD4OPRM1DRD2 | |
| SCHEMBL19567201 | 0.82 | ALDH1A1 (0.58) | CHRM3DRD2KCNH2SIGMAR1ALDH1A1 | |
| SCHEMBL19567190 | 0.81 | ALDH1A1 (0.55) | DRD2MEN1KMT2AKCNH2SIGMAR1 | |
| SCHEMBL19567427 | 0.80 | ALDH1A1 (0.41) | OPRM1CHRM4MEN1KMT2AALDH1A1 | |
| SCHEMBL19567212 | 0.79 | HTR2A (0.44) | OPRM1SIGMAR1 | |
| SCHEMBL19567609 | 0.78 | PRMT6 (0.56) | CHRM3OPRM1SIGMAR1 |
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-3452464-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | HOFFMANN LA ROCHE (CH) | 2021-12-15 | — | — | EP | disclosed |
| WO-2017191098-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-11-09 | — | — | WO | disclosed |