Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK1 | P06870 | 1/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.34 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.32 |
| ▸ | CSNK1E | P49674 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PDE9A | O76083 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23497842 | 1.00 | KLK1 (0.36) | KLK1KLK5ZAP70KARS1GSK3B | |
| Hydrochloric Acid SCHEMBL30013394 | 0.90 | KLK1 (0.35) | KLK1KLK5ZAP70KARS1GSK3B | |
| SCHEMBL23508128 | 0.88 | MEN1 (0.34) | GSK3BALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL23497516 | 0.88 | HSD17B10 (0.33) | GSK3BHSD17B10CNR1 | |
| SCHEMBL23508347 | 0.88 | GSK3B (0.34) | KLK1KLK5GSK3BCSNK1DCSNK1E | |
| SCHEMBL23497830 | 0.85 | HSD17B10 (0.46) | KLK1KLK5ZAP70KARS1ALDH1A1 | |
| SCHEMBL23508086 | 0.84 | KLK1 (0.37) | KLK1KLK5ZAP70KARS1GSK3B | |
| Hydrochloric Acid SCHEMBL30012852 | 0.83 | KLK1 (0.36) | KLK1KLK5ZAP70KARS1GSK3B | |
| SCHEMBL23497790 | 0.82 | KLK1 (0.36) | KLK1KLK5ZAP70KARS1GSK3B | |
| SCHEMBL23508105 | 0.82 | CDK2 (0.36) | GSK3BHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4073072-A1 | PYRAZOLOTRIAZINES | Bayer Aktiengesellschaft (DE) | 2022-10-19 | — | — | EP | disclosed |