Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16183587 | 0.76 | LPL (0.33) | — | |
| SCHEMBL13868360 | 0.72 | ESR2 (0.34) | ESR2 | |
| SCHEMBL13868347 | 0.72 | ESR2 (0.35) | ESR2 | |
| SCHEMBL16110234 | 0.69 | ESR2 (0.31) | ESR2 | |
| SCHEMBL13868346 | 0.68 | ESR2 (0.33) | ALDH1A1ESR2 | |
| SCHEMBL520252 | 0.68 | LPL (0.42) | KDM4EALDH1A1ESR2 | |
| SCHEMBL17698755 | 0.68 | JAK2 (0.39) | KDM4EMAPTESR2 | |
| SCHEMBL14895853 | 0.68 | CYP2A6 (0.35) | ALDH1A1ESR2 | |
| SCHEMBL931715 | 0.68 | CYP2A6 (0.35) | ALDH1A1ESR2 | |
| SCHEMBL30905966 | 0.68 | ESR2 (0.33) | ALDH1A1ESR2 |
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-116354934-A | Quinoline compound, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2023-06-30 | — | — | CN | disclosed |
| US-7514563-B2 | Producing cyano-substituted pyridine, pyrrole, furan, thiophene or benzene boranes by reacting a cyanoarene with a BH or a HBBH compound, especially 4,4,5,5-tetramethyl-1,3,2-dioxborolane or its dimer, in the presence of an organo-phosphorus or -nitrogen iridium complex; drug intermediates | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2009-04-07 | — | — | US | disclosed |