Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | F2R | P25116 | 1/20 | 0.37 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GRK2 | P25098 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7991056 | 0.88 | NPSR1 (0.39) | CA12CA9F2RCLCN2KAT6A | |
| SCHEMBL7991901 | 0.86 | USP2 (0.49) | USP2CA12CA9F2RKAT6A | |
| SCHEMBL7990928 | 0.83 | HPGD (0.44) | CA12CA9F2RALDH1A1TP53 | |
| SCHEMBL7973452 | 0.83 | NPC1 (0.39) | CA12CA9F2RALDH1A1HTT | |
| SCHEMBL7987828 | 0.81 | CLCN2 (0.38) | CA12CA9F2RCLCN2KAT6A | |
| SCHEMBL7973394 | 0.81 | CA12 (0.39) | USP2CA12CA9ALDH1A1TP53 | |
| SCHEMBL7973353 | 0.81 | SLC6A2 (0.36) | CA12CA9KMT2A | |
| SCHEMBL7987106 | 0.80 | CTSD (0.46) | ALDH1A1TP53HTT | |
| SCHEMBL7984830 | 0.79 | HCRTR1 (0.49) | ALDH1A1GAATSHRHTTKMT2A | |
| SCHEMBL7973495 | 0.78 | NPSR1 (0.46) | CA12CA9ALDH1A1GAATSHR |
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 |