Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19944669 | 0.97 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL3414965 | 0.92 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL18343731 | 0.91 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL24387320 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL31251106 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL84186 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL1747220 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL6648220 | 0.84 | CTSK (0.46) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL4408873 | 0.84 | CYP2D6 (0.50) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL7494256 | 0.83 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 |
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-114341145-A | Chemical compound | 博拉公司 | 2022-04-12 | — | — | CN | disclosed |
| WO-2021003501-A1 | CHEMICAL COMPOUNDS | Boragen, Inc. (US) | 2021-01-07 | — | — | WO | disclosed |