Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTPRA | P18433 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20148111 | 0.83 | RET (0.47) | CYP1A2CYP2D6MAPTTSHRSMN1; SMN2 | |
| SCHEMBL28314967 | 0.81 | RET (0.40) | CYP1A2CYP2D6MAPTTSHRSMN1; SMN2 | |
| SCHEMBL20069388 | 0.81 | TLR2 (0.39) | RETKMT2A | |
| SCHEMBL20069291 | 0.80 | MEN1 (0.42) | CYP2D6TSHRSMN1; SMN2SLC6A4POLB | |
| Trifluoroacetic Acid SCHEMBL29971166 | 0.78 | TLR2 (0.38) | — | |
| SCHEMBL20070610 | 0.77 | RET (0.44) | CYP2D6MAPTSMN1; SMN2SLC6A4POLB | |
| SCHEMBL28664232 | 0.76 | SMN1; SMN2 (0.41) | CYP2D6SMN1; SMN2SLC6A4POLBALDH1A1 | |
| SCHEMBL20148110 | 0.74 | CYP3A4 (0.44) | CYP1A2CYP2D6TSHRSMN1; SMN2POLB | |
| SCHEMBL20070069 | 0.74 | LMNA (0.43) | CYP1A2TSHRSMN1; SMN2POLBALDH1A1 | |
| SCHEMBL20069292 | 0.74 | CASP3 (0.45) | ALDH1A1CYP3A4RET |
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 |
|---|---|---|---|---|---|---|---|
| CN-110177786-B | Substituted pyrazolo [1,5-A ] pyridine compounds as RET kinase inhibitors | 阿雷生物药品公司 | 2021-12-14 | — | — | CN | disclosed |