Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | UBE2M | P61081 | 1/20 | 0.40 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 3/20 | 0.34 |
| ▸ | JAK1 | P23458 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24093309 | 0.86 | ALDH1A1 (0.44) | ALDH1A1GAALMNANPSR1UBE2M | |
| SCHEMBL19567495 | 0.86 | USP2 (0.38) | ALDH1A1GAALMNANPSR1KDM4E | |
| SCHEMBL20781917 | 0.84 | ALDH1A1 (0.42) | ALDH1A1GAALMNANPSR1UBE2M | |
| SCHEMBL23514773 | 0.84 | ALDH1A1 (0.42) | ALDH1A1GAALMNANPSR1UBE2M | |
| SCHEMBL19567201 | 0.82 | ALDH1A1 (0.58) | ALDH1A1GAALMNANPSR1TACR1 | |
| SCHEMBL19567190 | 0.81 | ALDH1A1 (0.55) | ALDH1A1GAAKDM4EJAK2JAK1 | |
| SCHEMBL19567532 | 0.80 | CXCR3 (0.46) | ALDH1A1OPRM1CHRM4MEN1KMT2A | |
| SCHEMBL19567212 | 0.79 | HTR2A (0.44) | OPRM1OPRL1 | |
| SCHEMBL19567609 | 0.78 | PRMT6 (0.56) | OPRM1OPRL1JAK2JAK1SMN1; SMN2 | |
| SCHEMBL19568159 | 0.78 | SIGMAR1 (0.56) | ALDH1A1GAAKDM4EOPRM1OPRL1 |
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 |