Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15323022 | 0.88 | CALM1 (0.61) | CALM1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15323583 | 0.77 | CALM1 (0.48) | CALM1ALDH1A1TAAR1HRH3LTA4H | |
| SCHEMBL3416553 | 0.77 | HTR6 (0.57) | CALM1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29076175 | 0.76 | TDP1 (0.56) | CALM1ALDH1A1AOC3TAAR1HRH3 | |
| SCHEMBL21372063 | 0.74 | CALM1 (0.50) | CALM1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30281263 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CYP2D6HTR6TAAR1LTA4H | |
| SCHEMBL28815533 | 0.72 | MPO (0.54) | CALM1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2614741 | 0.72 | CALM1 (0.61) | CALM1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28267391 | 0.71 | NPC1 (0.53) | CALM1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13437610 | 0.71 | AOC3 (0.48) | CALM1ALDH1A1CYP1A2CYP3A4CYP2D6 |
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-108542832-A | A kind of antibacterial liquid tooth paste | 佛山皖阳生物科技有限公司 | 2018-09-18 | — | — | CN | claimed |
| CN-108542832-A | A kind of antibacterial liquid tooth paste | 佛山皖阳生物科技有限公司 | 2018-09-18 | — | — | CN | disclosed |