Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28099487 | 1.00 | SLC6A4 (0.35) | SLC6A4BRAFL3MBTL1ALDH1A1LMNA | |
| SCHEMBL3034217 | 0.72 | SLC6A4 (0.41) | SLC6A4BRAFL3MBTL1ALDH1A1LMNA | |
| SCHEMBL8268348 | 0.72 | LMNA (0.61) | SLC6A4ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL31248153 | 0.72 | LMNA (0.61) | SLC6A4ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL3024666 | 0.69 | ALDH1A1 (0.46) | SLC6A4BRAFL3MBTL1ALDH1A1LMNA | |
| SCHEMBL31251396 | 0.68 | MEN1 (0.35) | BRAFL3MBTL1ALDH1A1KMT2AMAPT | |
| SCHEMBL31251454 | 0.67 | CA2 (0.38) | SLC6A4BRAFL3MBTL1ALDH1A1LMNA | |
| SCHEMBL21798460 | 0.67 | ALDH1A1 (0.52) | L3MBTL1ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL21798457 | 0.67 | ALDH1A1 (0.52) | L3MBTL1ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL31015693 | 0.65 | CDK2 (0.35) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980361-A | Derivatives of 5-benzylisoquinoline for the treatment of cardiovascular diseases | 法国施维雅药厂 | 2016-09-28 | — | — | CN | disclosed |