Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.41 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30755311 | 0.89 | HDAC3 (0.47) | KLKB1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL27378742 | 0.89 | HDAC3 (0.47) | KLKB1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL27373753 | 0.85 | GRM2 (0.49) | KLKB1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL27286280 | 0.84 | MAOA (0.49) | KLKB1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL27373751 | 0.80 | P2RX7 (0.41) | KLKB1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL21523836 | 0.79 | SCD5 (0.50) | KLKB1SCD5NTRK1 | |
| SCHEMBL27364061 | 0.78 | ADORA2B (0.47) | KLKB1ARALDH1A1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL28532079 | 0.77 | SCD5 (0.43) | KLKB1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL27286277 | 0.76 | AKR1C3 (0.40) | ARALDH1A1MAPTACHE | |
| SCHEMBL752774 | 0.76 | LMNA (0.61) | KLKB1ALDH1A1LMNAMAPTMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024026486-A2 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | CEDILLA THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |
| WO-2024026484-A2 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | CEDILLA THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |
| WO-2024026483-A2 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | CEDILLA THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |