Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.58 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.58 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.58 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.49 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1671248 | 0.85 | KDM4E (0.50) | CSNK1A1TYRO3DYRK1BNPC1RAB9A | |
| SCHEMBL11567329 | 0.83 | CSNK1A1 (0.40) | CSNK1A1TYRO3DYRK1BBCAT2NUDT1 | |
| SCHEMBL986590 | 0.82 | CSNK1A1 (0.47) | CSNK1A1TYRO3DYRK1BBCAT2NUDT1 | |
| SCHEMBL746436 | 0.79 | CSNK1A1 (0.38) | CSNK1A1TYRO3DYRK1BBCAT2NUDT1 | |
| SCHEMBL986588 | 0.78 | CSNK1A1 (0.46) | CSNK1A1TYRO3DYRK1BBCAT2NUDT1 | |
| SCHEMBL2650295 | 0.73 | CSNK1A1 (0.54) | CSNK1A1TYRO3DYRK1BBCAT2NUDT1 | |
| SCHEMBL6825869 | 0.73 | CSNK1A1 (1.00) | CSNK1A1TYRO3DYRK1BBCAT2NUDT1 | |
| SCHEMBL20544704 | 0.73 | BTK (0.44) | CSNK1A1TYRO3DYRK1BPARP1BTK | |
| SCHEMBL210767 | 0.73 | BCAT2 (0.74) | CSNK1A1TYRO3DYRK1BBCAT2NUDT1 | |
| SCHEMBL30514077 | 0.73 | BCAT2 (0.74) | CSNK1A1TYRO3DYRK1BBCAT2NUDT1 |
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-2022198777-A1 | APPLICATION OF TRIAZOLE COMPOUND IN PREPARATION OF ANTITUMOR DRUGS | 苏州大学 | 2022-09-29 | — | — | WO | disclosed |
| CN-112999221-B | Application of triazole compound in preparation of antitumor drugs | 苏州大学 | 2022-04-12 | — | — | CN | disclosed |
| CN-112999221-B | Application of triazole compound in preparation of antitumor drugs | 苏州大学 | 2022-04-12 | — | — | CN | disclosed |