Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.45 |
| ▸ | CES1 | P23141 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7987131 | 0.83 | HTR7 (0.44) | ALDH1A1CES2CES1KMT2AGAA | |
| SCHEMBL7987064 | 0.83 | ALDH1A1 (0.52) | ALDH1A1LMNASMN1; SMN2KMT2AGAA | |
| SCHEMBL7984824 | 0.83 | HTT (0.46) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL7990882 | 0.83 | HTT (0.46) | ALDH1A1CES2CES1GSK3BKMT2A | |
| SCHEMBL6316440 | 0.82 | NPSR1 (0.55) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL7990738 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL7973511 | 0.80 | USP5 (0.45) | ALDH1A1LMNASMN1; SMN2KMT2AHTT | |
| SCHEMBL7984979 | 0.80 | HDAC1 (0.46) | ALDH1A1LMNASMN1; SMN2KMT2ATDP1 | |
| SCHEMBL7983730 | 0.80 | CES2 (0.50) | CES2CES1GSK3BHSD11B1MAPT | |
| SCHEMBL7984817 | 0.79 | HPGD (0.50) | ALDH1A1SMN1; SMN2KMT2AGAATDP1 |
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 |