Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 14/20 | 0.40 |
| ▸ | SCD5 | Q86SK9 | 3/20 | 0.39 |
| ▸ | SCD | O00767 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KLK1 | P06870 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30744379 | 0.90 | KLKB1 (0.41) | KLKB1SCD5SCDKLK1KDM4E | |
| SCHEMBL21491992 | 0.90 | KLKB1 (0.41) | KLKB1SCD5SCDKLK1KDM4E | |
| Trifluoroacetic Acid SCHEMBL29279745 | 0.84 | SCD5 (0.47) | SCD5SCDALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL21491995 | 0.79 | CPB1 (0.37) | KLKB1BRD4HSD17B10KLK1KDM4E | |
| SCHEMBL21492752 | 0.79 | KLKB1 (0.44) | KLKB1SCD5SCDKLK1 | |
| Trifluoroacetic Acid SCHEMBL21492456 | 0.78 | CACNA1G (0.40) | KLKB1SCD5SCDBRD4HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL21491813 | 0.78 | L3MBTL1 (0.46) | KLKB1HSD17B10KLK1 | |
| Trifluoroacetic Acid SCHEMBL21492192 | 0.77 | HCRTR1 (0.38) | KLKB1BRD4HSD17B10KLK1KDM4E | |
| Trifluoroacetic Acid SCHEMBL30265181 | 0.77 | SCD5 (0.35) | KLKB1SCD5SCDBRD4HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL21492529 | 0.76 | KLKB1 (0.39) | KLKB1BRD4KLK1ALDH1A1 |
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-112218865-B | Pteridinone compounds and uses thereof | 沃泰克斯药物股份有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-112218865-A | Pteridinone compounds and uses thereof | 沃泰克斯药物股份有限公司 | 2021-01-12 | — | — | CN | disclosed |