Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | OTUD7B | Q6GQQ9 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13161926 | 1.00 | CHRNB2 (0.43) | CHRNB2CHRNA7CHRNA4HTR3AALDH1A1 | |
| SCHEMBL23305022 | 0.91 | CHRNB2 (0.41) | CHRNB2CHRNA7CHRNA4HTR3AALDH1A1 | |
| SCHEMBL13162862 | 0.79 | CHRNB2 (0.48) | CHRNB2CHRNA7CHRNA4HTR3AOTUD7B | |
| SCHEMBL19289585 | 0.79 | HDAC3 (0.40) | — | |
| Hydrochloric Acid SCHEMBL12481650 | 0.78 | HDAC3 (0.40) | — | |
| Hydrochloric Acid SCHEMBL12481648 | 0.78 | HDAC3 (0.40) | — | |
| Hydrochloric Acid SCHEMBL12480904 | 0.78 | HDAC3 (0.40) | — | |
| SCHEMBL22402147 | 0.75 | CHRNB2 (0.44) | CHRNB2CHRNA7CHRNA4HTR3ACYP2D6 | |
| SCHEMBL23508716 | 0.75 | ALDH1A1 (0.32) | ALDH1A1HSD17B10HPGDCYP2D6CYP3A4 | |
| SCHEMBL23508717 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113795483-B | Carboxamide-pyrimidine derivatives as SHP2 antagonists | 默克专利有限公司 | 2024-12-31 | — | — | CN | disclosed |
| EP-4448526-A1 | PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS | GENZYME CORPORATION (US) | 2024-10-23 | — | — | EP | disclosed |
| CN-113646049-B | Pyrimidinone derivatives as SHP2 antagonists | 默克专利有限公司 | 2024-08-13 | — | — | CN | disclosed |
| WO-2023114954-A1 | PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS | GENZYME CORPORATION (US) | 2023-06-22 | — | — | WO | disclosed |
| WO-2022095971-A1 | SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海医药集团股份有限公司 | 2022-05-12 | — | — | WO | disclosed |