Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLCN2 | P51788 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | F2R | P25116 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GRK2 | P25098 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7991056 | 0.86 | NPSR1 (0.39) | CLCN2KAT6AGABRA1GABRB2F2R | |
| SCHEMBL7990893 | 0.81 | USP2 (0.38) | CLCN2KAT6AGABRA1GABRB2F2R | |
| SCHEMBL7991022 | 0.80 | CES2 (0.50) | KAT6ATSHRALDH1A1HTTKDM4E | |
| SCHEMBL5862971 | 0.79 | CLCN2 (0.43) | CLCN2GABRA1GABRB2F2RTSHR | |
| SCHEMBL7973382 | 0.78 | HPGD (0.42) | ALDH1A1HTT | |
| SCHEMBL29344686 | 0.77 | CLCN2 (0.42) | CLCN2GABRA1GABRB2F2RTSHR | |
| SCHEMBL7983681 | 0.77 | HCRTR1 (0.53) | ALDH1A1HTTKDM4E | |
| SCHEMBL7985043 | 0.76 | NPC1 (0.41) | TSHRALDH1A1HTTCA12CA9 | |
| SCHEMBL7973356 | 0.76 | CES2 (0.50) | ALDH1A1KDM4ERCE1TP53POLB | |
| SCHEMBL7986988 | 0.75 | TDP1 (0.39) | TSHRALDH1A1CA9 |
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 |