Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.30 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12643258 | 0.77 | HTT (0.38) | CYP2A6ALDH1A1GAAHTT | |
| SCHEMBL15277587 | 0.74 | ELANE (0.33) | ALDH1A1GAAMAPTHTT | |
| SCHEMBL8001513 | 0.71 | — | — | |
| SCHEMBL22980861 | 0.68 | ELANE (0.39) | DRD4ALDH1A1GAAMAPTHTT | |
| SCHEMBL12489993 | 0.67 | MAOA (0.45) | DRD4DRD2 | |
| SCHEMBL13649219 | 0.65 | CYP2A6 (0.41) | CYP2A6 | |
| SCHEMBL6421992 | 0.65 | HTR2C (0.45) | DRD4HTR2C | |
| SCHEMBL1610178 | 0.65 | DRD4 (0.34) | DRD4DRD2 | |
| SCHEMBL19132756 | 0.64 | PDK1 (0.34) | DRD4HTR2CDRD2 | |
| Hydrochloric Acid SCHEMBL28877979 | 0.64 | HTR2C (0.44) | DRD4HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019197549-A1 | PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE | QURIENT CO., LTD. (KR) | 2019-10-17 | — | — | WO | disclosed |