Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | MTHFD2 | P13995 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20379181 | 0.86 | MAPK1 (0.61) | MAPK1MTHFD2MEN1KMT2AHDAC6 | |
| Hydrochloric Acid SCHEMBL30688337 | 0.84 | MAPK1 (0.59) | MAPK1MTHFD2MEN1KMT2AHDAC6 | |
| SCHEMBL24088863 | 0.82 | MAPK1 (0.53) | MAPK1MEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL19736037 | 0.82 | MAPK1 (0.53) | MAPK1MEN1KMT2AHDAC6ALDH1A1 | |
| Sulfuric Acid SCHEMBL30688319 | 0.81 | MAPK1 (0.56) | MAPK1MTHFD2MEN1KMT2AHDAC6 | |
| SCHEMBL24088862 | 0.80 | MAPK1 (0.51) | MAPK1MEN1KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL1583105 | 0.79 | ALDH1A1 (0.57) | MAPK1KMT2AALDH1A1L3MBTL1POLB | |
| SCHEMBL11186927 | 0.78 | MAPK1 (0.56) | MAPK1MEN1KMT2AHDAC6ALDH1A1 | |
| SCHEMBL22814469 | 0.77 | MAPK1 (0.54) | MAPK1MTHFD2MEN1KMT2AHDAC6 | |
| SCHEMBL21287457 | 0.77 | SMN1; SMN2 (0.51) | MAPK1MEN1KMT2AHDAC6ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115960109-B | Preparation and application of condensed ring SHP2 phosphatase inhibitor | 药雅科技(上海)有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-118206550-A | SHP2 inhibitor and application thereof | 江苏威凯尔医药科技有限公司 | 2024-06-18 | — | — | CN | disclosed |
| CN-115448923-B | Pyrimidine-fused ring compound, preparation method and application thereof | 上海青煜医药科技有限公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-117003772-A | Pharmaceutically acceptable salts of heterocyclic compounds, and crystal forms, preparation methods and uses thereof | 博瑞生物医药（苏州）股份有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-115448923-A | Pyrimido-cyclic compounds, process for their preparation and their use | 青煜医药研发(上海)有限公司 | 2022-12-09 | — | — | CN | disclosed |
| CN-115340559-A | Preparation and application of SHP2 phosphatase heterocyclic inhibitor | 药雅科技(上海)有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-115340561-A | Preparation and application of SHP2 phosphatase fused ring inhibitor | 药雅科技(上海)有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-110156786-B | Pyrimido-cyclic compounds, process for their preparation and their use | 青煜医药研发(上海)有限公司 | 2022-06-03 | — | — | CN | disclosed |