Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | SLC22A12 | Q96S37 | 7/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL27851317 | 0.84 | KDM1A (0.48) | SLC22A12KDM1AKDM4EPDK1PDK2 | |
| Trifluoroacetic Acid SCHEMBL30369965 | 0.82 | HTT (0.55) | CA1CA2SLC22A12HTT | |
| SCHEMBL59702 | 0.82 | CA1 (0.69) | CA1CA2HTTALDH1A1KDM4E | |
| Naphthoic Acid SCHEMBL11742303 | 0.80 | NR4A1 (0.70) | CA1CA2SLC22A12HTTNR4A1 | |
| Formaldehyde SCHEMBL28349296 | 0.80 | CA1 (0.68) | CA1CA2HTTALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL25405344 | 0.80 | CA1 (0.67) | CA1CA2HTTALDH1A1KDM4E | |
| Hydrogen Sulfide SCHEMBL29288363 | 0.80 | CA1 (0.67) | CA1CA2HTTALDH1A1KDM4E | |
| SCHEMBL27788199 | 0.80 | CA1 (0.67) | CA1CA2HTTALDH1A1KDM4E | |
| SCHEMBL28118590 | 0.80 | CA1 (0.67) | CA1CA2HTTALDH1A1KDM4E | |
| SCHEMBL27593533 | 0.80 | CA1 (0.67) | CA1CA2HTTALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-4415824-A1 | QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS | Incyte Corporation (US) | 2024-08-21 | — | — | EP | disclosed |
| WO-2023064857-A1 | QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS | INCYTE CORPORATION (US) | 2023-04-20 | — | — | WO | disclosed |