Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7984824 | 0.82 | HTT (0.46) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL7990738 | 0.81 | ALDH1A1 (0.50) | CES2CES1LMNANPC1RAB9A | |
| SCHEMBL7973288 | 0.80 | LMNA (0.47) | CA1CA2LMNARAB9ASMN1; SMN2 | |
| SCHEMBL7988139 | 0.79 | CES2 (0.48) | CES2CES1CA1CA2LMNA | |
| SCHEMBL7987811 | 0.79 | CES2 (0.48) | CES2CES1CA1CA2NPC1 | |
| SCHEMBL6316323 | 0.78 | CES2 (0.44) | CES2CES1TSHRCA1CA2 | |
| SCHEMBL7973489 | 0.78 | KDM4E (0.41) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL7987660 | 0.77 | PARP1 (0.52) | FLT1FLT4KDRNPC1RAB9A | |
| SCHEMBL7990828 | 0.76 | HDAC1 (0.50) | CA1CA2LMNANPC1RAB9A | |
| SCHEMBL7973336 | 0.76 | ALDH1A1 (0.53) | CA2LMNANPC1SMN1; SMN2AKR1C3 |
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 |