Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.47 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27082578 | 1.00 | KMT2A (0.48) | KMT2AMEN1TDP1NPC1HSP90AA1 | |
| SCHEMBL6038507 | 0.79 | KMT2A (0.52) | KMT2AMEN1TDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL25950866 | 0.75 | CCR4 (0.40) | KMT2AMEN1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL20536139 | 0.74 | MEN1 (0.51) | KMT2AMEN1TDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL29285148 | 0.74 | MEN1 (0.48) | KMT2AMEN1TDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL22832057 | 0.72 | BRAF (0.46) | ALDH1A1MAPTGAA | |
| SCHEMBL29227967 | 0.71 | SMN1; SMN2 (0.57) | KMT2AMEN1TDP1NPC1HSP90AA1 | |
| SCHEMBL30939460 | 0.71 | SMN1; SMN2 (0.57) | KMT2AMEN1TDP1NPC1HSP90AA1 | |
| SCHEMBL16235273 | 0.71 | TSHR (0.74) | KMT2AMEN1TDP1NPC1HSP90AA1 | |
| SCHEMBL24103824 | 0.70 | CCR4 (0.50) | — |
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-117836297-A | (S) -1- (5- ((pyridin-3-yl) thio) pyrazin-2-yl) -4'H,6' H-spiro [ piperidine-4, 5 '-pyrrolo [1,2-B ] pyrazol ] -4' -amine derivatives and similar compounds as SHP2 inhibitors for the treatment of, for example, cancer | 国家化学成分收集和筛选中心 | 2024-04-05 | — | — | CN | disclosed |