Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | STS | P08842 | 2/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.46 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7973364 | 0.90 | ALDH1A1 (0.53) | CES2CES1PARP1STSTAS1R3 | |
| SCHEMBL7984963 | 0.87 | KAT6A (0.51) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL7984823 | 0.85 | KAT6A (0.48) | TAS1R3TAS1R1NPC1RAB9AALDH1A1 | |
| SCHEMBL7984991 | 0.83 | KAT6A (0.54) | MEN1KMT2AKAT6A | |
| SCHEMBL7983730 | 0.81 | CES2 (0.50) | CES2CES1PARP1TAS1R3TAS1R1 | |
| SCHEMBL7984817 | 0.80 | HPGD (0.50) | PARP1TAS1R3TAS1R1NPC1RAB9A | |
| SCHEMBL7984972 | 0.80 | PARP1 (0.49) | PARP1NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL7983810 | 0.78 | PARP1 (0.47) | PARP1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL7983786 | 0.78 | CES2 (0.50) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL7987781 | 0.77 | KAT6A (0.48) | NPC1RAB9AALDH1A1MEN1KMT2A |
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 |