Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 3/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.44 |
| ▸ | WNT3A | P56704 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL119396 | 0.85 | MAOB (0.70) | MAOBACHECYP1A1CYP1A2CA1 | |
| SCHEMBL30514387 | 0.85 | MAOB (0.70) | MAOBACHECYP1A1CYP1A2CA1 | |
| Methane SCHEMBL27404638 | 0.83 | MAOB (0.67) | MAOBACHECYP1A1CYP1A2CA1 | |
| 1,2-Dimethoxybenzene SCHEMBL27479591 | 0.79 | CA1 (0.72) | ACHECA1CA2CA12CA4 | |
| Hydroquinone SCHEMBL27268188 | 0.77 | ACHE (0.60) | ACHECYP1A2CA1CA2CA12 | |
| SCHEMBL31444153 | 0.77 | BCHE (0.63) | ALDH1A1HPGDKDM4ERAB9AKMT2A | |
| SCHEMBL6881536 | 0.77 | BCHE (0.63) | CYP1A2HPGDKDM4EMEN1RAB9A | |
| SCHEMBL6035592 | 0.77 | BCHE (0.63) | ALDH1A1HPGDKDM4ERAB9AKMT2A | |
| Catechol SCHEMBL28616324 | 0.74 | ACHE (0.72) | ACHECYP1A2CA1CA2MAPT | |
| Mequinol SCHEMBL28799186 | 0.74 | LTA4H (0.61) | ACHECA1CA2CA12CA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106316979-B | A kind of preparation method of acotiamide hydrochloride hydrate | 山东罗欣药业集团股份有限公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-106316979-A | Acotiamide hydrochloride preparation method | 山东罗欣药业集团股份有限公司 | 2017-01-11 | — | — | CN | disclosed |