Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 7/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29473157 | 1.00 | HRH3 (0.46) | HRH3CYP2D6HRH1DRD2XIAP | |
| Hydrochloric Acid SCHEMBL29473018 | 0.99 | HRH3 (0.46) | HRH3CYP2D6HRH1DRD2XIAP | |
| Hydrochloric Acid SCHEMBL28909617 | 0.99 | HRH3 (0.46) | HRH3CYP2D6HRH1DRD2XIAP | |
| Hydrochloric Acid SCHEMBL28909582 | 0.94 | HRH3 (0.45) | HRH3CYP2D6HRH1DRD2XIAP | |
| Hydrochloric Acid SCHEMBL29473042 | 0.94 | HRH3 (0.45) | HRH3CYP2D6HRH1DRD2XIAP | |
| SCHEMBL28909592 | 0.88 | DRD2 (0.41) | HRH3CYP2D6HRH1DRD2THRB | |
| Hydrochloric Acid SCHEMBL28909549 | 0.88 | DRD2 (0.46) | HRH3CYP2D6HRH1DRD2THRB | |
| Hydrochloric Acid SCHEMBL28909559 | 0.88 | DRD2 (0.41) | HRH3CYP2D6HRH1DRD2THRB | |
| Hydrochloric Acid SCHEMBL29473003 | 0.88 | DRD2 (0.41) | HRH3CYP2D6HRH1DRD2THRB | |
| Hydrochloric Acid SCHEMBL28909530 | 0.87 | DRD2 (0.42) | HRH3CYP2D6HRH1DRD2THRB |
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 |