Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5131200 | 1.00 | MAOA (0.46) | MAOADRD2KDM4EHSD17B10CYP2C9 | |
| SCHEMBL28197625 | 0.81 | CHRNB2 (0.39) | KDM4EGAAMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8701366 | 0.81 | CHRNB2 (0.39) | KDM4EGAAMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL5325492 | 0.81 | CHRNB2 (0.39) | KDM4EGAAMAPTSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL22574492 | 0.80 | OPRM1 (0.39) | DRD2KDM4EGAAMAPTSMN1; SMN2 | |
| SCHEMBL8722537 | 0.75 | MAPT (0.51) | KDM4ECYP2C9TSHRGAAMAPT | |
| SCHEMBL28197623 | 0.75 | MAPT (0.51) | KDM4ECYP2C9TSHRGAAMAPT | |
| SCHEMBL8724857 | 0.75 | ALDH1A1 (0.44) | KDM4EHSD17B10CYP2C9GAASMN1; SMN2 | |
| SCHEMBL17725672 | 0.73 | ADRB2 (0.56) | DRD2DRD4GAA | |
| SCHEMBL17713985 | 0.73 | ADRB2 (0.56) | DRD2DRD4GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104161758-B | 3 carboxylic acid tetrahydro isoquinoline derivatives are preparing the application in treating dopaminergic nerve disease medicament | 苏州大学 | 2018-01-02 | — | — | CN | claimed |
| CN-104161758-A | Applications of tetrahydroisoquinoline-3-carboxylic acid derivatives in preparation of medicines treating dopaminergic nerve diseases | UNIV SOOCHOW | 2014-11-26 | — | — | CN | claimed |
| CN-104161758-B | 3 carboxylic acid tetrahydro isoquinoline derivatives are preparing the application in treating dopaminergic nerve disease medicament | 苏州大学 | 2018-01-02 | — | — | CN | disclosed |
| CN-104161758-A | Applications of tetrahydroisoquinoline-3-carboxylic acid derivatives in preparation of medicines treating dopaminergic nerve diseases | UNIV SOOCHOW | 2014-11-26 | — | — | CN | disclosed |