Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7973346 | 0.89 | CTSD (0.50) | CTSDALDH1A1NPC1HTTHPGD | |
| SCHEMBL7984830 | 0.87 | HCRTR1 (0.49) | ALDH1A1HTTHPGDGLALMNA | |
| SCHEMBL7987117 | 0.85 | IRAK4 (0.50) | ALDH1A1LMNA | |
| SCHEMBL7987135 | 0.80 | CTSD (0.49) | CTSDALDH1A1NPC1HTTHPGD | |
| SCHEMBL7991901 | 0.79 | USP2 (0.49) | ALDH1A1NPC1HTTHPGDTP53 | |
| SCHEMBL7990928 | 0.79 | HPGD (0.44) | ALDH1A1NPC1HPGDTP53LMNA | |
| SCHEMBL7973452 | 0.79 | NPC1 (0.39) | ALDH1A1NPC1HTTHPGDRAB9A | |
| SCHEMBL7973353 | 0.78 | SLC6A2 (0.36) | — | |
| SCHEMBL7974560 | 0.76 | HCRTR1 (0.53) | ALDH1A1HTTHPGDGLALMNA | |
| SCHEMBL7983548 | 0.75 | LMNA (0.54) | ALDH1A1TP53LMNAMAPTSMN1; SMN2 |
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 |