Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | RGS17 | Q9UGC6 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CDC42 | P60953 | 1/20 | 0.41 |
| ▸ | RAC1 | P63000 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14697272 | 0.78 | MAPT (0.52) | ALDH1A1KDM4ELMNAMAPTMEN1 | |
| SCHEMBL11083139 | 0.77 | NPC1 (0.47) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL11083143 | 0.74 | LMNA (0.52) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL150476 | 0.71 | NPC1 (0.65) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL29350099 | 0.71 | NPC1 (0.65) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL5476426 | 0.71 | CYP3A4 (0.66) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL30400843 | 0.70 | BAD (0.49) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL403982 | 0.70 | BAD (0.49) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL15058403 | 0.67 | RAB9A (0.47) | ALDH1A1KDM4EMAPTSMN1; SMN2MEN1 | |
| Quinoline SCHEMBL9957249 | 0.67 | ALDH1A1 (0.65) | ALDH1A1KDM4ELMNAMAPTSMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-3972958-A1 | A PROCESS FOR THE MANUFACTURING OF (6AR,10AR)-7-PROPYL-6,6A,7,8,9,10,10A,11-OCTAHYDRO-[1,3]DIOXOLO[4',5':5,6]BENZO[1,2-G]QUINOLINE AND (4AR,10AR)-1-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDRO-BENZO[G]QUINOLINE-6,7-DIOL | H. Lundbeck A/S (DK) | 2022-03-30 | — | — | EP | disclosed |