Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
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 | 0.86 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL1747220 | 0.86 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL17034685 | 0.85 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL28740911 | 0.82 | CA1 (0.45) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL27508123 | 0.79 | CA1 (0.45) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL25166100 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL29496897 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL31059732 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL8972253 | 0.76 | CYP2D6 (0.63) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL27426180 | 0.76 | CYP2D6 (0.63) | 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-101208334-B | Novel cyclic amines | HOFFMANN LA ROCHE | 2012-06-13 | — | — | CN | disclosed |
| CN-101208334-A | Novel cyclic amines | HOFFMANN LA ROCHE (CH) | 2008-06-25 | — | — | CN | disclosed |