Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.33 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | AHCYL1 | O43865 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL3989639 | 0.81 | PIK3CB (0.30) | PIK3CB | |
| SCHEMBL31083207 | 0.81 | PIK3CB (0.30) | PIK3CB | |
| SCHEMBL20155269 | 0.79 | F2RL1 (0.31) | — | |
| SCHEMBL22509829 | 0.79 | F2RL1 (0.36) | PIK3CBDHFRPI4KAPI4K2BPI4K2A | |
| SCHEMBL20154949 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL12513707 | 0.74 | PIK3CB (0.30) | PIK3CB | |
| SCHEMBL25320978 | 0.73 | PI4KA (0.49) | HTTKMT2API4KAPI4K2BPI4K2A | |
| SCHEMBL19100879 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL12490996 | 0.67 | PIK3CB (0.44) | PIK3CBDHFRNOS3NOS1NOS2 | |
| SCHEMBL31083518 | 0.66 | HTT (0.32) | HTTKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024245193-A1 | HETEROAROMATIC RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2024-12-05 | — | — | WO | disclosed |
| CN-118619943-A | Heteroaromatic ring compound, pharmaceutical composition and application thereof | 上海艾力斯医药科技股份有限公司 | 2024-09-10 | — | — | CN | disclosed |