Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | SMPD3 | Q9NY59 | 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 | |
|---|---|---|---|---|
| SCHEMBL2014387 | 0.75 | ALDH1A1 (0.34) | NOS3NOS2ALDH1A1TSHRNOS1 | |
| SCHEMBL22207095 | 0.75 | ALDH1A1 (0.34) | NOS3NOS2ALDH1A1TSHRNOS1 | |
| SCHEMBL498175 | 0.73 | — | — | |
| SCHEMBL19122510 | 0.72 | — | — | |
| SCHEMBL24676986 | 0.71 | CHRM2 (0.33) | CHRM2CHRM1CHRM3 | |
| SCHEMBL28216120 | 0.70 | PLG (0.39) | NOS3NOS2DRD4CHRM2CHRM1 | |
| SCHEMBL577126 | 0.70 | — | — | |
| SCHEMBL497630 | 0.70 | TSHR (0.38) | NOS3NOS2ALDH1A1TSHRNOS1 | |
| SCHEMBL9830249 | 0.69 | DRD4 (0.37) | NOS3NOS2ALDH1A1TSHRNOS1 | |
| SCHEMBL1606341 | 0.68 | TSHR (0.40) | NOS3NOS2ALDH1A1TSHRNOS1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114014854-B | Dihydroisoquinoline compound | 苏州爱科百发生物医药技术有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-113999224-B | Dihydroisoquinoline compound | 苏州爱科百发生物医药技术有限公司 | 2023-04-07 | — | — | CN | disclosed |
| WO-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |
| CN-114014854-A | Dihydroisoquinoline compound | 苏州爱科百发生物医药技术有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-113999224-A | Dihydroisoquinoline compound | 苏州爱科百发生物医药技术有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-111410653-A | Dihydroisoquinoline compound | 苏州爱科百发生物医药技术有限公司 | 2020-07-14 | — | — | CN | disclosed |