Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | AGPAT2 | O15120 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL31530990 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19CYP2E1CYP2A6 | |
| Trifluoroacetic Acid SCHEMBL31530949 | 0.72 | PDE4B (0.39) | CYP1A2CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL21223617 | 0.71 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL10942195 | 0.71 | ABCG2 (0.47) | CYP1A2CYP2C19CYP2C9AURKBINCENP | |
| SCHEMBL527200 | 0.70 | IMPDH2 (0.46) | CYP1A2CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL10345022 | 0.69 | HSD17B10 (0.54) | CYP1A2CYP2D6CYP2C19HSP90AA1CYP3A4 | |
| SCHEMBL10272836 | 0.69 | IMPDH2 (0.55) | CYP1A2CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL24171276 | 0.69 | MAP4K1 (0.44) | CYP11B1CYP11B2IKBKBCHUKPOLB | |
| SCHEMBL12270012 | 0.68 | CYP2A6 (0.50) | CYP1A2CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL9013358 | 0.67 | DYRK1A (0.54) | CYP1A2POLBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119912478-A | Amino heteroaryl macrocyclic compounds, preparation method and application thereof | 北京鞍石生物科技股份有限公司 | 2025-05-02 | — | — | CN | disclosed |