Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28021053 | 0.84 | CYP1A2 (0.51) | ALDH1A1HSD17B10NPC1RAB9AMEN1 | |
| SCHEMBL13777208 | 0.82 | HSD17B10 (0.62) | ALDH1A1HSD17B10NPC1RAB9AL3MBTL1 | |
| SCHEMBL30956253 | 0.82 | HSD17B10 (0.62) | ALDH1A1HSD17B10NPC1RAB9AL3MBTL1 | |
| SCHEMBL357928 | 0.77 | PDK1 (0.55) | ALDH1A1PDE7AL3MBTL1PDE7BMEN1 | |
| SCHEMBL9182016 | 0.77 | MEN1 (0.42) | ALDH1A1NPC1RAB9AL3MBTL1MEN1 | |
| SCHEMBL27560726 | 0.77 | PDE7A (0.51) | ALDH1A1NPC1RAB9APDE7AL3MBTL1 | |
| SCHEMBL11616945 | 0.76 | CYP3A4 (0.46) | HSD17B10NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28859856 | 0.75 | MAPT (0.50) | ALDH1A1NPC1RAB9AL3MBTL1SMN1; SMN2 | |
| SCHEMBL23144851 | 0.75 | MAPT (0.56) | ALDH1A1NPC1RAB9AL3MBTL1MEN1 | |
| SCHEMBL28297800 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HSD17B10NPC1RAB9AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011025748-A1 | AMINO SUBSTITUTED DIARYL [A, D] CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS | ACADIA PHARMACEUTICALS, INC. (US) | 2011-03-03 | — | — | WO | disclosed |
| WO-2011025748-A1 | AMINO SUBSTITUTED DIARYL [A, D] CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS | ACADIA PHARMACEUTICALS, INC. (US) | 2011-03-03 | — | — | WO | disclosed |