Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KAT6A | Q92794 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL7987842 | 0.82 | CES2 (0.47) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL7987828 | 0.80 | CLCN2 (0.38) | ALDH1A1TP53TSHRHTTPOLB | |
| SCHEMBL7973382 | 0.79 | HPGD (0.42) | ALDH1A1HTTHPGDNPC1SMN1; SMN2 | |
| SCHEMBL7991901 | 0.78 | USP2 (0.49) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL7973356 | 0.78 | CES2 (0.50) | CES2CES1ALDH1A1TP53HPGD | |
| SCHEMBL7985043 | 0.78 | NPC1 (0.41) | ALDH1A1TSHRHTTHPGDPOLB | |
| SCHEMBL7986988 | 0.76 | TDP1 (0.39) | ALDH1A1ALOX15TSHRMEN1KMT2A | |
| SCHEMBL7987932 | 0.76 | L3MBTL1 (0.43) | TSHRHPGDPOLBKMT2A | |
| SCHEMBL7987135 | 0.75 | CTSD (0.49) | GAAALDH1A1TSHRHTTHPGD | |
| SCHEMBL6316323 | 0.74 | CES2 (0.44) | CES2CES1GAAALDH1A1TSHR |
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 |