Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 8/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.39 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21491800 | 0.89 | KLKB1 (0.42) | KLKB1PPARDGLSKCNQ3KCNQ2 | |
| SCHEMBL24400371 | 0.88 | HDAC3 (0.42) | KLKB1PPARDGLSKCNQ3KCNQ2 | |
| SCHEMBL30744352 | 0.88 | HDAC3 (0.42) | KLKB1PPARDGLSKCNQ3KCNQ2 | |
| SCHEMBL21491889 | 0.83 | KLKB1 (0.44) | KLKB1PPARDGLSNAMPTTRPV1 | |
| Trifluoroacetic Acid SCHEMBL30056789 | 0.78 | PPARD (0.42) | KLKB1PPARDGLSKCNQ3KCNQ2 | |
| Trifluoroacetic Acid SCHEMBL21492407 | 0.78 | PPARD (0.42) | KLKB1PPARDGLSKCNQ3KCNQ2 | |
| SCHEMBL21491519 | 0.78 | GLS (0.38) | KLKB1PPARDGLSCYP3A4CYP2C9 | |
| SCHEMBL28532124 | 0.76 | PPARD (0.39) | KLKB1PPARDGLSKCNQ3KCNQ2 | |
| SCHEMBL30060309 | 0.74 | HDAC3 (0.46) | KLKB1NAMPTGAAALDH1A1 | |
| SCHEMBL21492632 | 0.73 | PPARD (0.42) | PPARD |
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 |