Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | 0.86 | PARP1 (0.49) | PARP1PTGS2L3MBTL1ALDH1A1TP53 | |
| SCHEMBL7989108 | 0.82 | L3MBTL1 (0.48) | PARP1PTGS2L3MBTL1ALDH1A1TP53 | |
| SCHEMBL7983521 | 0.80 | PARP1 (0.53) | PARP1TP53SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7990889 | 0.79 | CES2 (0.55) | PARP1ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7987660 | 0.79 | PARP1 (0.52) | PARP1ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12438666 | 0.77 | PARP1 (0.59) | PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL7988139 | 0.77 | CES2 (0.48) | L3MBTL1ALDH1A1NPC1RAB9AGAA | |
| SCHEMBL6316323 | 0.77 | CES2 (0.44) | PARP1PTGS2L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL7985855 | 0.76 | KAT6A (0.52) | L3MBTL1ALDH1A1TP53SMN1; SMN2NPC1 | |
| SCHEMBL10245996 | 0.76 | PARP1 (0.57) | PARP1L3MBTL1ALDH1A1TP53SMN1; 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 |