Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | BAD | Q92934 | 1/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987131 | 0.82 | HTR7 (0.44) | CES2CES1CA1CA2PTGS2 | |
| SCHEMBL7990738 | 0.81 | ALDH1A1 (0.50) | CES2CES1PTGS2AKR1C3NPC1 | |
| SCHEMBL7988139 | 0.79 | CES2 (0.48) | CES2CES1CA1CA2AKR1C3 | |
| SCHEMBL7990842 | 0.79 | CES2 (0.48) | CES2CES1CA1CA2PTGS2 | |
| SCHEMBL6316323 | 0.78 | CES2 (0.44) | CES2CES1CA1CA2PTGS2 | |
| SCHEMBL7987813 | 0.78 | HTR7 (0.45) | CES2CES1CA1CA2CXCR2 | |
| SCHEMBL7990889 | 0.77 | CES2 (0.55) | CES2CES1CA1CA2NPC1 | |
| SCHEMBL7973288 | 0.76 | LMNA (0.47) | CA1CA2RAB9ACA9MAPT | |
| SCHEMBL7990828 | 0.76 | HDAC1 (0.50) | CA1CA2NPC1RAB9AMAPT | |
| SCHEMBL7973336 | 0.76 | ALDH1A1 (0.53) | CA2AKR1C3NPC1MAPT |
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 |