Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | OGG1 | O15527 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7984972 | 0.89 | PARP1 (0.49) | L3MBTL1ALDH1A1KDM4EMAPTPARP1 | |
| SCHEMBL7983792 | 0.84 | CES2 (0.46) | ALDH1A1KDM4EMAPTPARP1POLB | |
| SCHEMBL7991787 | 0.84 | ALDH1A1 (0.45) | ALDH1A1MAPTPARP1GAASMN1; SMN2 | |
| SCHEMBL7973224 | 0.83 | HTT (0.42) | ALDH1A1KDM4EMAPTPOLBOGG1 | |
| SCHEMBL7987939 | 0.82 | PARP1 (0.52) | L3MBTL1ALDH1A1KDM4EMAPTPARP1 | |
| SCHEMBL7973495 | 0.82 | NPSR1 (0.46) | ALDH1A1GAAPTGS2SMN1; SMN2LMNA | |
| SCHEMBL7973364 | 0.81 | ALDH1A1 (0.53) | L3MBTL1ALDH1A1KDM4EMAPTPARP1 | |
| SCHEMBL7987781 | 0.80 | KAT6A (0.48) | L3MBTL1ALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL7983751 | 0.79 | KAT6A (0.45) | L3MBTL1ALDH1A1KDM4EGAANPC1 | |
| SCHEMBL7973452 | 0.74 | NPC1 (0.39) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |