Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL7494202 | 0.85 | GAA (0.49) | ALDH1A1HPGDLMNAMAPTRAB9A | |
| SCHEMBL23728219 | 0.76 | NOX1 (0.49) | ALDH1A1HPGDTSHRMAPTKDM4E | |
| SCHEMBL23728221 | 0.76 | NOX1 (0.49) | ALDH1A1HPGDTSHRMAPTKDM4E | |
| SCHEMBL10027943 | 0.76 | NOX1 (0.47) | ALDH1A1HPGDMAPTKDM4ERAB9A | |
| SCHEMBL7490760 | 0.76 | MAPT (0.48) | ALDH1A1HPGDLMNATSHRMAPT | |
| SCHEMBL10950570 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDLMNATSHRMAPT | |
| SCHEMBL14059065 | 0.71 | MAPT (0.52) | ALDH1A1HPGDLMNAMAPTKDM4E | |
| SCHEMBL14269202 | 0.71 | MAPT (0.52) | ALDH1A1HPGDLMNAMAPTKDM4E | |
| SCHEMBL14059066 | 0.71 | MAPT (0.52) | ALDH1A1HPGDLMNAMAPTKDM4E | |
| SCHEMBL4977454 | 0.70 | KMT2A (0.53) | ALDH1A1HPGDLMNATSHRMAPT |
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-1043641-C | hydrogenated isoquinoline derivatives | SMITHKLINE BEECHAM FARMA (IT) | 1999-06-16 | — | — | CN | disclosed |
| CN-1132510-A | Hydroisoquinoline derivatives | SMITHKLINE BEECHAM FARMA (IT) | 1996-10-02 | — | — | CN | disclosed |