Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19567883 | 1.00 | POLB (0.54) | POLBACHEBACE1BCHEMEN1 | |
| SCHEMBL19567649 | 1.00 | POLB (0.54) | POLBACHEBACE1BCHEMEN1 | |
| SCHEMBL19567380 | 0.86 | JAK2 (0.44) | POLBACHEBACE1BCHEMEN1 | |
| SCHEMBL19567372 | 0.86 | LOXL2 (0.45) | JAK2JAK1OPRM1OPRL1HRH3 | |
| SCHEMBL19567880 | 0.86 | JAK2 (0.44) | POLBACHEBACE1BCHEMEN1 | |
| SCHEMBL24092999 | 0.86 | JAK2 (0.44) | POLBACHEBACE1BCHEMEN1 | |
| SCHEMBL19567370 | 0.86 | LOXL2 (0.45) | JAK2JAK1OPRM1OPRL1HRH3 | |
| SCHEMBL19567419 | 0.86 | OPRM1 (0.55) | ACHEBACE1BCHEMEN1KMT2A | |
| SCHEMBL19567386 | 0.86 | OPRM1 (0.55) | ACHEBACE1BCHEMEN1KMT2A | |
| SCHEMBL19567382 | 0.84 | POLB (0.51) | POLBACHEBACE1BCHEMEN1 |
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 |