Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | OGG1 | O15527 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7989108 | 0.89 | L3MBTL1 (0.48) | PARP1L3MBTL1PTGS2ALDH1A1KDM4E | |
| SCHEMBL7987939 | 0.86 | PARP1 (0.52) | PARP1L3MBTL1PTGS2ALDH1A1KDM4E | |
| SCHEMBL7984817 | 0.83 | HPGD (0.50) | PARP1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL7983786 | 0.82 | CES2 (0.50) | PARP1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL7983810 | 0.82 | PARP1 (0.47) | PARP1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL7990882 | 0.81 | HTT (0.46) | ALDH1A1KDM4EMAPTPOLBKMT2A | |
| SCHEMBL6316440 | 0.80 | NPSR1 (0.55) | PTGS2ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL7986969 | 0.80 | CES2 (0.56) | PARP1ALDH1A1KDM4EMAPTNPC1 | |
| SCHEMBL7984963 | 0.78 | KAT6A (0.51) | L3MBTL1ALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL7984823 | 0.77 | KAT6A (0.48) | L3MBTL1ALDH1A1KDM4EGAANPC1 |
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 |