Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28637829 | 0.85 | KMT2A (0.46) | KMT2ATDP1S1PR5S1PR1GRM2 | |
| SCHEMBL4589190 | 0.77 | CYP2D6 (0.46) | GRM2GRM3KDM4EALDH1A1KCNA3 | |
| SCHEMBL10748973 | 0.77 | KCNA3 (0.50) | KDM4EALDH1A1KCNA3 | |
| SCHEMBL1792829 | 0.76 | S1PR5 (0.66) | S1PR5S1PR1KDM4EALDH1A1 | |
| SCHEMBL12499368 | 0.76 | ALDH1A1 (0.51) | KMT2ATDP1MEN1KDM4EALDH1A1 | |
| SCHEMBL6980399 | 0.75 | KCNA3 (0.66) | KMT2ATDP1KCNA3LTA4H | |
| SCHEMBL8104319 | 0.75 | KMT2A (0.62) | KMT2AALDH1A1 | |
| SCHEMBL8095548 | 0.75 | KMT2A (0.62) | KMT2AALDH1A1 | |
| SCHEMBL24433074 | 0.73 | L3MBTL1 (0.51) | TDP1KDM4EALDH1A1KCNA3LTA4H | |
| SCHEMBL8318203 | 0.73 | GAA (0.58) | S1PR5S1PR1KDM4EALDH1A1 |
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-110461835-A | Isoxazole benzamide compound and application thereof | NOVARTIS AG | 2019-11-15 | — | — | CN | disclosed |