Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 SCHEMBL28909530 | 0.99 | DRD2 (0.42) | DRD2HTR7HTR1AHTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL29473031 | 0.99 | DRD2 (0.42) | DRD2HTR7HTR1AHTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL28909559 | 0.88 | DRD2 (0.41) | DRD2HTR7HTR1AHTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL29473003 | 0.88 | DRD2 (0.41) | DRD2HTR7HTR1AHTR2ASLC6A4 | |
| SCHEMBL28909598 | 0.88 | HRH3 (0.46) | DRD2DRD3HRH3CYP2D6HRH1 | |
| SCHEMBL29473157 | 0.88 | HRH3 (0.46) | DRD2DRD3HRH3CYP2D6HRH1 | |
| Hydrochloric Acid SCHEMBL28909617 | 0.87 | HRH3 (0.46) | DRD2HTR7HTR1AHTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL29473018 | 0.87 | HRH3 (0.46) | DRD2HTR7HTR1AHTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL29473042 | 0.83 | HRH3 (0.45) | DRD2DRD3HRH3CYP2D6HRH1 | |
| Hydrochloric Acid SCHEMBL28909582 | 0.83 | HRH3 (0.45) | DRD2DRD3HRH3CYP2D6HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112812061-B | N-aryl-1, 2,3, 4-tetrahydroisoquinoline-7-amine compound and application thereof | 苏州恩华生物医药科技有限公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-112812061-A | N-aryl-1, 2,3, 4-tetrahydroisoquinoline-7-amine compound and application thereof | 江苏恩华药业股份有限公司 | 2021-05-18 | — | — | CN | disclosed |