Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30825704 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL30825705 | 0.89 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL10272522 | 0.85 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL9521235 | 0.82 | CYP3A4 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL30825729 | 0.80 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL13966253 | 0.77 | CYP3A4 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL559293 | 0.74 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL559090 | 0.74 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL2629372 | 0.74 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL18431062 | 0.73 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 |
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-2024051631-A1 | MACROCYCLIC IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 苏州朗睿生物医药有限公司 | 2024-03-14 | — | — | WO | disclosed |