Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | UBE2M | P61081 | 1/20 | 0.48 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24093254 | 0.81 | HRH3 (0.62) | ALDH1A1KDM4EGAASMN1; SMN2CYP2D6 | |
| SCHEMBL24093437 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAASMN1; SMN2TDP1 | |
| SCHEMBL13574521 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAASMN1; SMN2TDP1 | |
| SCHEMBL11339852 | 0.78 | PRMT6 (0.78) | ALDH1A1KDM4EGAASMN1; SMN2TDP1 | |
| SCHEMBL11192726 | 0.78 | PRMT6 (0.78) | ALDH1A1KDM4EGAASMN1; SMN2TDP1 | |
| SCHEMBL13800970 | 0.78 | PRMT6 (0.57) | ALDH1A1KDM4EGAASMN1; SMN2TDP1 | |
| SCHEMBL7813997 | 0.77 | SMN1; SMN2 (0.55) | ALDH1A1KDM4EGAASMN1; SMN2TDP1 | |
| SCHEMBL30341002 | 0.76 | ALDH1A1 (1.00) | ALDH1A1KDM4EGAASMN1; SMN2TDP1 | |
| SCHEMBL4235961 | 0.76 | ALDH1A1 (1.00) | ALDH1A1KDM4EGAASMN1; SMN2TDP1 | |
| SCHEMBL24093309 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAASMN1; SMN2UBE2M |
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 1 patent. 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 |