Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 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 | |
|---|---|---|---|---|
| SCHEMBL15140927 | 0.85 | ALDH1A1 (0.42) | MYCALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL29640885 | 0.82 | MYC (0.43) | MYCALDH1A1KMT2AHSD17B10MEN1 | |
| SCHEMBL28985440 | 0.82 | MKNK1 (0.42) | MYCALDH1A1CYP2C9 | |
| SCHEMBL28369802 | 0.81 | MYC (0.34) | MYCCHRNB2CHRNA4 | |
| SCHEMBL31450581 | 0.81 | LSS (0.46) | MYCALDH1A1SMN1; SMN2NAMPTCHRNB2 | |
| SCHEMBL28539765 | 0.80 | MEN1 (0.41) | MYCNAMPTKMT2ACYP2C9MEN1 | |
| SCHEMBL22441484 | 0.79 | GRM1 (0.48) | GRM5NAMPTPDE10A | |
| SCHEMBL21193344 | 0.77 | HCAR2 (0.35) | MYC | |
| SCHEMBL1856104 | 0.75 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2NAMPTKMT2AKDM4E | |
| SCHEMBL25243642 | 0.75 | CHRNB2 (0.62) | MYCALDH1A1PDE10AKMT2AHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116390917-A | MRGX2 antagonists | 葛兰素史密斯克莱知识产权发展有限公司 | 2023-07-04 | — | — | CN | disclosed |
| CN-110818683-B | 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2023-04-14 | — | — | CN | disclosed |