Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987813 | 0.88 | HTR7 (0.45) | HTR7CES2CES1POLBGAA | |
| SCHEMBL7990725 | 0.83 | ALDH1A1 (0.45) | CES2CES1GAANPC1RAB9A | |
| SCHEMBL7987811 | 0.82 | CES2 (0.48) | HTR7CES2CES1PTPN1NPC1 | |
| SCHEMBL7984824 | 0.81 | HTT (0.46) | CES2CES1POLBGAANPC1 | |
| SCHEMBL7990882 | 0.81 | HTT (0.46) | CES2CES1POLBCA1CA2 | |
| SCHEMBL7987064 | 0.81 | ALDH1A1 (0.52) | GAANPC1RAB9ACA2KMT2A | |
| SCHEMBL6316440 | 0.81 | NPSR1 (0.55) | CES2CES1RAB9AHSD11B1KMT2A | |
| SCHEMBL7983786 | 0.80 | CES2 (0.50) | CES2CES1GAANPC1RAB9A | |
| SCHEMBL7973511 | 0.79 | USP5 (0.45) | POLBNPC1RAB9ACA1CA2 | |
| SCHEMBL7983730 | 0.79 | CES2 (0.50) | CES2CES1CA1CA2HSD11B1 |
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 |