Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | CES1 | P23141 | 2/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | MIF | P14174 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6306459 | 1.00 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP2C19CES1L3MBTL1 | |
| SCHEMBL696955 | 1.00 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP2C19CES1L3MBTL1 | |
| SCHEMBL2589100 | 0.89 | L3MBTL1 (0.68) | ALDH1A1CYP1A2CYP2C19CES1L3MBTL1 | |
| SCHEMBL2589102 | 0.89 | L3MBTL1 (0.68) | ALDH1A1CYP1A2CYP2C19CES1L3MBTL1 | |
| SCHEMBL2733083 | 0.84 | HPGD (0.77) | ALDH1A1CYP1A2CYP2C19CES1L3MBTL1 | |
| SCHEMBL29453066 | 0.84 | HPGD (0.77) | ALDH1A1CYP1A2CYP2C19CES1L3MBTL1 | |
| SCHEMBL1201521 | 0.84 | HPGD (0.77) | ALDH1A1CYP1A2CYP2C19CES1L3MBTL1 | |
| SCHEMBL1201517 | 0.84 | HPGD (0.77) | ALDH1A1CYP1A2CYP2C19CES1L3MBTL1 | |
| SCHEMBL29417938 | 0.84 | HPGD (0.77) | ALDH1A1CYP1A2CYP2C19CES1L3MBTL1 | |
| SCHEMBL2281246 | 0.82 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19CES1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0080115-A2 | Hexahydronaphth(1,2-b)-1,4-oxazines, process for their preparation and pharmaceutical formulation containing them | MERCK & CO. INC. (US) | 1983-06-01 | — | — | EP | disclosed |