Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9629784 | 0.83 | SMN1; SMN2 (0.56) | CYP3A4ALOX15ALDH1A1CYP1A2HIF1A | |
| SCHEMBL22231944 | 0.83 | CYP3A4 (0.41) | CYP3A4SLC6A2SLC6A4SLC6A3ALOX15 | |
| SCHEMBL1509590 | 0.82 | TSHR (0.47) | CYP3A4SLC6A2SLC6A4SLC6A3ALOX15 | |
| SCHEMBL11616945 | 0.82 | CYP3A4 (0.46) | CYP3A4SLC6A2SLC6A4SLC6A3ALOX15 | |
| SCHEMBL9656059 | 0.80 | CYP3A4 (0.58) | CYP3A4ALOX15ALDH1A1CYP1A2HIF1A | |
| SCHEMBL6206260 | 0.79 | CYP3A4 (0.52) | CYP3A4SLC6A2SLC6A4ALOX15ALDH1A1 | |
| SCHEMBL10543426 | 0.79 | P2RX7 (0.45) | CYP3A4SLC6A2SLC6A4SLC6A3ALOX15 | |
| SCHEMBL22737489 | 0.77 | CYP3A4 (0.47) | CYP3A4SLC6A2SLC6A4SLC6A3ALOX15 | |
| SCHEMBL14978063 | 0.76 | SLC6A4 (0.56) | CYP3A4SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL15093979 | 0.75 | CYP3A4 (0.48) | CYP3A4SLC6A2SLC6A4SLC6A3ALOX15 |
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 |