Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7984824 | 0.88 | HTT (0.46) | KDM4EALDH1A1POLBGAACTDSP1 | |
| SCHEMBL7987821 | 0.84 | USP5 (0.41) | KDM4EALDH1A1POLBKMT2ALMNA | |
| SCHEMBL7987813 | 0.83 | HTR7 (0.45) | ALDH1A1POLBGAAKMT2AHDAC3 | |
| SCHEMBL7973249 | 0.83 | ALDH1A1 (0.47) | ALDH1A1GAAKMT2ALMNAMAPT | |
| SCHEMBL7973224 | 0.83 | HTT (0.42) | KDM4EALDH1A1POLBCTDSP1KMT2A | |
| SCHEMBL7973495 | 0.83 | NPSR1 (0.46) | ALDH1A1GAACES2CES1LMNA | |
| SCHEMBL7991787 | 0.81 | ALDH1A1 (0.45) | ALDH1A1GAAKMT2AMAPTHTT | |
| SCHEMBL7983696 | 0.81 | CES2 (0.46) | HDAC3HDAC1HDAC2CES2CES1 | |
| SCHEMBL7983580 | 0.81 | HDAC1 (0.43) | ALDH1A1POLBKMT2AHDAC3HDAC1 | |
| SCHEMBL7984806 | 0.80 | PARP10 (0.50) | KDM4EALDH1A1KMT2ALMNAL3MBTL1 |
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 |