Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CHKA | P35790 | 1/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL274002 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11901592 | 0.95 | — | — | |
| Methane SCHEMBL15561212 | 0.95 | — | — | |
| Isopropylamine SCHEMBL8601026 | 0.86 | KMO (0.39) | KMOCA2CHKAASIC3SCN9A | |
| Adamantane SCHEMBL2190545 | 0.84 | KMO (0.38) | KMOCA2CHKAASIC3SCN9A | |
| SCHEMBL31051471 | 0.83 | — | — | |
| SCHEMBL28153591 | 0.80 | MEN1 (0.40) | NPC1MEN1KMT2ALOXLOXL3 | |
| SCHEMBL125453 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL27947432 | 0.75 | MEN1 (0.38) | NPC1MEN1KMT2ALOXLOXL3 | |
| SCHEMBL30296887 | 0.74 | — | — |
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-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |