Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7990928 | 0.89 | HPGD (0.44) | CES2CES1ALDH1A1HPGDTP53 | |
| SCHEMBL7973356 | 0.82 | CES2 (0.50) | CES2CES1ALDH1A1HPGDTP53 | |
| SCHEMBL7973403 | 0.81 | ERCC5 (0.42) | HPGDSMN1; SMN2ERCC5FEN1FLT1 | |
| SCHEMBL7991056 | 0.81 | NPSR1 (0.39) | ALDH1A1HPGDTP53POLB | |
| SCHEMBL7987842 | 0.79 | CES2 (0.47) | CES2CES1ALDH1A1HPGDTP53 | |
| SCHEMBL7974319 | 0.79 | RAB9A (0.42) | ALDH1A1HPGDPOLBSMN1; SMN2KMT2A | |
| SCHEMBL7984803 | 0.78 | MEN1 (0.38) | POLBKMT2A | |
| SCHEMBL7973481 | 0.78 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL7973346 | 0.77 | CTSD (0.50) | ALDH1A1HPGDTP53SMN1; SMN2LMNA | |
| SCHEMBL4957629 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1HPGDTP53 |
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 |