Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL84186 | 0.84 | CYP1A2 (0.54) | CTSKCYP2D6CTSSCA1CA2 | |
| SCHEMBL1747220 | 0.84 | CYP1A2 (0.54) | CTSKCYP2D6CTSSCA1CA2 | |
| SCHEMBL19014943 | 0.83 | CTSK (0.48) | CTSKCYP2D6CTSSCYP1A2CYP2C9 | |
| SCHEMBL16827590 | 0.83 | CTSK (0.48) | CTSKCYP2D6CTSSCYP1A2CYP2C9 | |
| SCHEMBL4058903 | 0.83 | CTSK (0.51) | CTSKCYP2D6CTSSCYP1A2CYP2C9 | |
| SCHEMBL3719232 | 0.83 | CTSK (0.51) | CTSKCYP2D6CTSSCYP1A2CYP2C9 | |
| SCHEMBL8176917 | 0.83 | CTSK (0.51) | CTSKCYP2D6CTSSCYP1A2CYP2C9 | |
| SCHEMBL16552425 | 0.83 | CTSK (0.51) | CTSKCYP2D6CTSSCYP1A2CYP2C9 | |
| SCHEMBL15905906 | 0.83 | CTSK (0.48) | CTSKCYP2D6CTSSCYP1A2CYP2C9 | |
| SCHEMBL16855041 | 0.83 | CTSK (0.51) | CTSKCYP2D6CTSSCYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5518903-A | HYDROLYSIS OF ESTER | CHISSO CORPORATION (JP) | 1996-05-21 | — | — | US | claimed |
| US-5518903-A | HYDROLYSIS OF ESTER | CHISSO CORPORATION (JP) | 1996-05-21 | — | — | US | disclosed |