Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | 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 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | 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 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7990893 | 0.88 | USP2 (0.38) | CLCN2KAT6AGABRA1GABRB2F2R | |
| SCHEMBL7987828 | 0.86 | CLCN2 (0.38) | CLCN2KAT6AGABRA1GABRB2F2R | |
| SCHEMBL7987842 | 0.84 | CES2 (0.47) | KAT6ATSHRHTTALDH1A1TP53 | |
| SCHEMBL7973403 | 0.82 | ERCC5 (0.42) | NPSR1TSHRHTTHPGD | |
| SCHEMBL7973190 | 0.81 | CES2 (0.47) | ALDH1A1TP53POLBHPGD | |
| SCHEMBL7974319 | 0.81 | RAB9A (0.42) | NPSR1F2RTSHRHTTALDH1A1 | |
| SCHEMBL7973481 | 0.79 | ALDH1A1 (0.37) | NPSR1TSHRALDH1A1CA12CA9 | |
| SCHEMBL7984803 | 0.79 | MEN1 (0.38) | NPSR1GABRA1GABRB2CA12CA9 | |
| SCHEMBL5862971 | 0.79 | CLCN2 (0.43) | CLCN2GABRA1GABRB2F2RTSHR | |
| SCHEMBL7973346 | 0.78 | CTSD (0.50) | HTTALDH1A1TP53HPGD |
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 |