Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 7/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | KLK7 | P49862 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28844474 | 0.89 | TACR3 (0.79) | TACR3CYP3A4PLA2G2AKDM4EALDH1A1 | |
| SCHEMBL6451537 | 0.87 | TACR3 (1.00) | TACR3CYP3A4PLA2G2AMEN1KMT2A | |
| SCHEMBL29864792 | 0.86 | TACR3 (0.71) | TACR3CYP3A4PLA2G2AKDM4EALDH1A1 | |
| SCHEMBL8616493 | 0.86 | TACR3 (0.71) | TACR3CYP3A4PLA2G2AKDM4EALDH1A1 | |
| SCHEMBL4189945 | 0.86 | TACR3 (0.74) | TACR3CYP3A4PLA2G2AKDM4EALDH1A1 | |
| SCHEMBL28844487 | 0.85 | TACR3 (0.91) | TACR3CYP3A4KDM4EALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL4469164 | 0.85 | TACR3 (0.72) | TACR3CYP3A4PLA2G2AKDM4EALDH1A1 | |
| SCHEMBL6450481 | 0.84 | TACR3 (1.00) | TACR3CYP3A4MEN1KMT2AMAPT | |
| SCHEMBL4184333 | 0.84 | TACR3 (0.71) | TACR3CYP3A4PLA2G2AKDM4EALDH1A1 | |
| SCHEMBL8612697 | 0.83 | TACR3 (0.66) | TACR3CYP3A4PLA2G2AKDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110105279-B | Quinoline STAT3 specific inhibitor and preparation method and application thereof | 中山大学 | 2022-09-16 | — | — | CN | disclosed |