Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28570778 | 0.82 | KCNMA1 (0.41) | MAPK1ALDH1A1TDP1L3MBTL1RAB9A | |
| SCHEMBL30814542 | 0.79 | MAPK1 (0.44) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL28816101 | 0.79 | MAPK1 (0.46) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL2257023 | 0.77 | MAPK1 (0.53) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL30936593 | 0.77 | MAPK1 (0.53) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL22716655 | 0.75 | MAPK1 (0.53) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL31192586 | 0.75 | MAPK1 (0.53) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL22725412 | 0.74 | MAPK1 (0.50) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL22725464 | 0.74 | MAPK1 (0.50) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL11901944 | 0.74 | MAPK1 (0.50) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116217551-B | Substituted indazole or azaindazole compounds and application thereof | 河南中医药大学 | 2024-07-30 | — | — | CN | disclosed |
| CN-117886798-A | Substituted benzimidazoles and use thereof | 河南中医药大学 | 2024-04-16 | — | — | CN | disclosed |
| CN-116217551-A | Substituted indazole or azaindazole compounds and application thereof | 河南中医药大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-108264511-B | Heterocyclic derivative, preparation method thereof and application thereof in medicine | 浙江海正药业股份有限公司 | 2021-04-13 | — | — | CN | disclosed |
| CN-111032643-A | Quinolinone compounds | 詹森药业有限公司 | 2020-04-17 | — | — | CN | disclosed |
| CN-108264511-A | Heterocyclic derivative and preparation method thereof and its purposes in medicine | 浙江海正药业股份有限公司 | 2018-07-10 | — | — | CN | disclosed |
| CN-102933557-B | Radiation protection immunomodulator compounds and method | 彼得·麦卡勒姆癌症研究所 | 2016-08-03 | — | — | CN | disclosed |