Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | PTGIR | P43119 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.46 |
| ▸ | CHKA | P35790 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24092983 | 0.96 | CHKA (0.52) | SIGMAR1SMN1; SMN2USP2CYP1A2CYP2C9 | |
| SCHEMBL20782192 | 0.85 | SIGMAR1 (0.47) | SIGMAR1SMN1; SMN2USP2TSHRKDM4E | |
| SCHEMBL19568016 | 0.85 | SIGMAR1 (0.52) | SIGMAR1SMN1; SMN2USP2CYP1A2CYP2C9 | |
| SCHEMBL24093065 | 0.84 | ALDH1A1 (0.58) | TSHRKCNH2ALDH1A1LMNA | |
| SCHEMBL24093035 | 0.84 | ALDH1A1 (0.50) | SIGMAR1USP2CYP1A2CYP2C9TSHR | |
| SCHEMBL24093457 | 0.83 | ALDH1A1 (0.44) | SIGMAR1USP2ALDH1A1DRD2HTR2A | |
| SCHEMBL19567217 | 0.83 | USP2 (0.59) | SMN1; SMN2USP2CYP1A2CYP2C9TSHR | |
| SCHEMBL20781878 | 0.83 | SIGMAR1 (0.50) | SIGMAR1SMN1; SMN2USP2CYP1A2CYP2C9 | |
| SCHEMBL20782046 | 0.83 | SIGMAR1 (0.50) | SIGMAR1SMN1; SMN2USP2CYP1A2CYP2C9 | |
| SCHEMBL24093376 | 0.82 | OPRM1 (0.57) | SIGMAR1CYP1A2CYP2C9TSHRALDH1A1 |
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 |