Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 12/20 | 0.58 |
| ▸ | CTSS | P25774 | 7/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21598081 | 0.86 | CTSK (0.60) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29695812 | 0.86 | CTSK (0.60) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8245652 | 0.83 | CTSK (0.59) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15435539 | 0.83 | CTSK (0.59) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13896971 | 0.83 | CTSK (0.59) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1951491 | 0.83 | CTSK (0.64) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12965802 | 0.83 | CTSK (0.59) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL835996 | 0.83 | CTSK (0.64) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL318796 | 0.83 | CTSK (0.64) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1688825 | 0.83 | CTSK (0.59) | CTSKCTSSCYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108586300-A | A kind of synthetic method of S- butyrylthiocholine iodides | 成都福柯斯医药技术有限公司 | 2018-09-28 | — | — | CN | disclosed |