Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7973190 | 0.82 | CES2 (0.47) | CES2CES1ALDH1A1POLBFLT1 | |
| SCHEMBL7973382 | 0.79 | HPGD (0.42) | ALDH1A1FLT1FLT4KDRHPGD | |
| SCHEMBL7990928 | 0.78 | HPGD (0.44) | CES2CES1ALDH1A1POLBFLT1 | |
| SCHEMBL7985043 | 0.78 | NPC1 (0.41) | ALDH1A1POLBHPGDKMT2A | |
| SCHEMBL7991022 | 0.78 | CES2 (0.50) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL7986988 | 0.76 | TDP1 (0.39) | ALDH1A1KMT2A | |
| SCHEMBL7987932 | 0.76 | L3MBTL1 (0.43) | POLBHPGDCYP1A2KMT2ALMNA | |
| SCHEMBL7987828 | 0.76 | CLCN2 (0.38) | ALDH1A1POLBKDM4ETP53RCE1 | |
| SCHEMBL11329582 | 0.76 | CES2 (0.58) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL7987135 | 0.75 | CTSD (0.49) | ALDH1A1HPGDMAPT |
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 |