Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 4/20 | 0.54 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.50 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29154861 | 0.85 | KAT2B (0.64) | PRSS1KAT2BHCAR3MAPTKDM4E | |
| SCHEMBL29155059 | 0.85 | PRSS1 (0.55) | PRSS1KAT2BHCAR3MAPTKDM4E | |
| SCHEMBL28602327 | 0.84 | PRSS1 (0.62) | PRSS1HCAR3MAPTKDM4EPKM | |
| SCHEMBL29154949 | 0.83 | PRSS1 (0.48) | PRSS1KAT2BHCAR3MAPTKDM4E | |
| SCHEMBL28721561 | 0.80 | PKM (0.62) | PRSS1HCAR3MAPTKDM4EPKM | |
| SCHEMBL17743341 | 0.79 | KAT2B (0.47) | PRSS1KAT2BHCAR3MAPTKDM4E | |
| SCHEMBL1886423 | 0.77 | ALDH1A1 (0.62) | PRSS1KAT2BHCAR3MAPTPKM | |
| SCHEMBL30163781 | 0.77 | KAT2B (0.47) | PRSS1KAT2BHCAR3MAPTKDM4E | |
| SCHEMBL18075204 | 0.77 | HCAR3 (0.67) | KAT2BHCAR3MAPTPKMKMT2A | |
| SCHEMBL30317060 | 0.77 | KAT2B (0.63) | PRSS1KAT2BMAPTPKMKMT2A |
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-117561262-A | Macrocyclic TAK1 inhibitors | 阿奎利恩有限公司 | 2024-02-13 | — | — | CN | disclosed |