Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MRGPRX1 | Q96LB2 | 3/20 | 0.39 |
| ▸ | GCK | P35557 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | RHEB | Q15382 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL18332182 | 0.83 | ALDH1A1 (0.44) | ALDH1A1ESR1PARP10LMNAHTT | |
| SCHEMBL20084804 | 0.80 | HTR2A (0.55) | ALDH1A1ESR1PARP10LMNAHTT | |
| SCHEMBL18330582 | 0.79 | ALDH1A1 (0.44) | ALDH1A1ESR1PARP10LMNAHTT | |
| SCHEMBL18181799 | 0.79 | TRPA1 (0.42) | ALDH1A1ESR1LMNAHTTGAA | |
| SCHEMBL18331710 | 0.78 | ALDH1A1 (0.46) | ALDH1A1ESR1PARP10LMNAHTT | |
| SCHEMBL16792505 | 0.76 | GCK (0.48) | ALDH1A1ESR1PARP10HTTGAA | |
| SCHEMBL30764801 | 0.76 | GCK (0.48) | ALDH1A1ESR1PARP10HTTGAA | |
| SCHEMBL18332252 | 0.76 | PARP10 (0.50) | ALDH1A1ESR1PARP10GAAMEN1 | |
| SCHEMBL20085355 | 0.74 | ALDH1A1 (0.40) | ALDH1A1ESR1PARP10LMNAHTT | |
| SCHEMBL6293051 | 0.74 | PARP10 (0.66) | ALDH1A1ESR1PARP10LMNAHTT |
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-3312172-B1 | AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2020-05-06 | — | — | EP | disclosed |
| EP-3312172-A1 | AMINOPYRAZOLE DERIVATIVES | Chugai Seiyaku Kabushiki Kaisha (JP) | 2018-04-25 | — | — | EP | disclosed |