Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15817773 | 0.78 | ACHE (0.41) | SIGMAR1DRD4GBA1 | |
| SCHEMBL337982 | 0.74 | GRM6 (0.39) | SIGMAR1DRD4GBA1ABL1RIN1 | |
| SCHEMBL5132529 | 0.73 | MEN1 (0.46) | SIGMAR1MEN1ALDH1A1KMT2AABL1 | |
| SCHEMBL2933437 | 0.72 | SIGMAR1 (0.51) | SIGMAR1MEN1ALDH1A1KMT2AABL1 | |
| SCHEMBL5132526 | 0.72 | TACR1 (0.53) | MEN1ALDH1A1KMT2ADRD4ABL1 | |
| SCHEMBL5133293 | 0.72 | TACR1 (0.53) | MEN1ALDH1A1KMT2ADRD4ABL1 | |
| SCHEMBL20443188 | 0.70 | DRD2 (0.48) | SIGMAR1DRD4GBA1 | |
| SCHEMBL26126731 | 0.70 | DRD2 (0.48) | SIGMAR1DRD4GBA1 | |
| SCHEMBL21193607 | 0.70 | DRD2 (0.48) | SIGMAR1DRD4GBA1 | |
| SCHEMBL26128448 | 0.70 | DRD2 (0.48) | SIGMAR1DRD4GBA1 |
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-3269715-B1 | SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2020-05-13 | — | — | EP | disclosed |