Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8312192 | 0.90 | KDM4E (0.56) | CA12CA1CA9ALDH1A1MAPT | |
| SCHEMBL8312648 | 0.90 | KDM4E (0.58) | CA12CA1CA9ALDH1A1MAPT | |
| SCHEMBL8311813 | 0.90 | KDM4E (0.58) | CA12CA1CA9ALDH1A1MAPT | |
| SCHEMBL8312512 | 0.88 | ALDH1A1 (0.56) | CA12CA9ALDH1A1MAPTKMT2A | |
| SCHEMBL8308354 | 0.82 | KDM4E (0.51) | ALDH1A1MAPTKMT2AKDM4ETSHR | |
| SCHEMBL8312223 | 0.81 | BACE1 (0.71) | ALDH1A1MAPTKMT2AKDM4EPOLB | |
| SCHEMBL17308418 | 0.79 | ALDH1A1 (0.55) | ALDH1A1MAPTKMT2AKDM4EPOLB | |
| SCHEMBL8312510 | 0.79 | ALDH1A1 (0.56) | ALDH1A1MAPTKMT2AKDM4EPOLB | |
| SCHEMBL8305693 | 0.78 | ALDH1A1 (0.67) | ALDH1A1MAPTKMT2AKDM4EPOLB | |
| SCHEMBL8308428 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPTKMT2AKDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004078731-A1 | QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) | 2004-09-16 | — | — | WO | disclosed |