Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | APAF1 | O14727 | 2/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HK1 | P19367 | 1/20 | 0.53 |
| ▸ | GALK1 | P51570 | 1/20 | 0.53 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 4/20 | 0.47 |
| ▸ | SRC | P12931 | 2/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.47 |
| ▸ | AHR | P35869 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21316073 | 0.83 | MEN1 (0.63) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL8690288 | 0.79 | MEN1 (0.59) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL28428006 | 0.78 | ALDH1A1 (0.54) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL28433638 | 0.77 | GSK3A (0.54) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL28894653 | 0.76 | MAPT (0.61) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL29594088 | 0.76 | MAPT (0.61) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL28363963 | 0.75 | MEN1 (0.46) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL30608708 | 0.75 | MEN1 (0.46) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL28426927 | 0.74 | CDK2 (0.53) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL31106539 | 0.74 | GSK3A (0.53) | ALDH1A1MEN1MAPTKMT2AKDM4E |
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-110229152-B | 2-bit disubstituted indoline-3-ketone compound and asymmetric synthesis method thereof | 中国药科大学 | 2020-06-23 | — | — | CN | claimed |
| CN-110229152-B | 2-bit disubstituted indoline-3-ketone compound and asymmetric synthesis method thereof | 中国药科大学 | 2020-06-23 | — | — | CN | disclosed |