Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL614525 | 1.00 | FYN (0.50) | FYNCA1CA2CA12CA7 | |
| Hydrochloric Acid SCHEMBL866127 | 0.98 | FYN (0.48) | FYNCA1CA2CA12CA7 | |
| Hydrochloric Acid SCHEMBL29405454 | 0.98 | FYN (0.48) | FYNCA1CA2CA12CA7 | |
| SCHEMBL15630255 | 0.90 | FYN (0.42) | FYNCA1CA2CA12CA7 | |
| SCHEMBL22504662 | 0.86 | MAPT (0.58) | MAPTNFKB1THPOHIF1AHSD17B10 | |
| SCHEMBL13072957 | 0.81 | FYN (0.38) | FYNDRD3GRIN2DGRIN3BGRIN1 | |
| SCHEMBL17513822 | 0.76 | FYN (0.33) | FYNMAPTHSD17B10ALDH1A1KDM4E | |
| SCHEMBL17949696 | 0.76 | FYN (0.38) | FYNMAPTHSD17B10ALDH1A1KDM4E | |
| SCHEMBL29653964 | 0.76 | FYN (0.38) | FYNMAPTHSD17B10ALDH1A1KDM4E | |
| SCHEMBL20443999 | 0.76 | FYN (0.33) | FYNDRD3GRIN2DGRIN3BGRIN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3735406-B1 | A PROCESS FOR PREPARATION OF 5-(2-(SUBSTITUTED-AMINO)-1-HYDROXYETHYL)-8-(SUBSTITUTED-OXY) QUINOLIN-2(1H)-ONE | DEVA HOLDING AS (TR) | 2022-05-11 | — | — | EP | disclosed |
| CN-110128339-B | Synthetic method and intermediate for indacaterol and salt derivative thereof | 苏州芝宇生物科技有限公司 | 2022-03-08 | — | — | CN | disclosed |