Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FUCA1 | P04066 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.54 |
| ▸ | GBA1 | P04062 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CCR3 | P51677 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3707425 | 1.00 | FUCA1 (0.57) | FUCA1ALDH1A1SLC18A3GBA1ACHE | |
| SCHEMBL3547837 | 0.88 | ALDH1A1 (0.55) | FUCA1ALDH1A1SLC18A3GBA1ACHE | |
| SCHEMBL3547834 | 0.88 | ALDH1A1 (0.55) | FUCA1ALDH1A1SLC18A3GBA1ACHE | |
| SCHEMBL3547840 | 0.88 | ALDH1A1 (0.55) | FUCA1ALDH1A1SLC18A3GBA1ACHE | |
| SCHEMBL5999878 | 0.86 | FUCA1 (0.58) | FUCA1ALDH1A1SLC18A3GBA1ACHE | |
| SCHEMBL1315585 | 0.86 | GBA1 (0.66) | FUCA1ALDH1A1SLC18A3GBA1ACHE | |
| SCHEMBL5999883 | 0.86 | FUCA1 (0.58) | FUCA1ALDH1A1SLC18A3GBA1ACHE | |
| SCHEMBL505547 | 0.86 | GBA1 (0.66) | FUCA1ALDH1A1SLC18A3GBA1ACHE | |
| SCHEMBL1315584 | 0.86 | GBA1 (0.66) | FUCA1ALDH1A1SLC18A3GBA1ACHE | |
| SCHEMBL458459 | 0.86 | GBA1 (0.66) | FUCA1ALDH1A1SLC18A3GBA1ACHE |
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-7638535-B2 | (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-12-29 | — | — | US | disclosed |