Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19020359 | 0.91 | SIGMAR1 (0.38) | ACP3SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL24831546 | 0.90 | SIGMAR1 (0.39) | ACP3SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL12455895 | 0.89 | SLC6A4 (0.37) | ACP3SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL21699699 | 0.86 | ACP3 (0.46) | ACP3SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL25681219 | 0.86 | ACP3 (0.46) | ACP3SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL20273883 | 0.86 | ACP3 (0.49) | ACP3SLC6A4SLC6A2SIGMAR1ITGB1 | |
| SCHEMBL18389579 | 0.86 | ACP3 (0.46) | ACP3SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL19784818 | 0.85 | ACP3 (0.41) | ACP3SLC6A4SIGMAR1ITGB1ITGA4 | |
| SCHEMBL16994135 | 0.84 | SIGMAR1 (0.38) | ACP3SLC6A4SLC6A2SIGMAR1L3MBTL1 | |
| SCHEMBL19784819 | 0.84 | ACP3 (0.43) | ACP3SLC6A4SLC6A3SIGMAR1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017097391-A1 | FORMULATIONS CONTAINING KETONES COMPRISING NON-AROMATIC CYCLES | MERCK PATENT GMBH (DE) | 2017-06-15 | — | — | WO | disclosed |