Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | STS | P08842 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7986969 | 0.90 | CES2 (0.56) | ALDH1A1CES2CES1PARP1TAS1R3 | |
| SCHEMBL7987781 | 0.88 | KAT6A (0.48) | ALDH1A1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL7983751 | 0.86 | KAT6A (0.45) | ALDH1A1TAS1R3TAS1R1NPC1RAB9A | |
| SCHEMBL7983696 | 0.82 | CES2 (0.46) | CES2CES1PARP1TAS1R3TAS1R1 | |
| SCHEMBL7989108 | 0.81 | L3MBTL1 (0.48) | ALDH1A1PARP1NPC1RAB9AMAPT | |
| SCHEMBL7983792 | 0.80 | CES2 (0.46) | ALDH1A1CES2CES1PARP1NPC1 | |
| SCHEMBL7991787 | 0.80 | ALDH1A1 (0.45) | ALDH1A1PARP1MAPTGAANPSR1 | |
| SCHEMBL7973495 | 0.79 | NPSR1 (0.46) | ALDH1A1CES2CES1HSD11B1GAA | |
| SCHEMBL7984963 | 0.77 | KAT6A (0.51) | ALDH1A1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL7984991 | 0.77 | KAT6A (0.54) | — |
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 |