Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GRM8 | O00222 | 1/20 | 0.38 |
| ▸ | GRM6 | O15303 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | PLCB1 | Q9NQ66 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25635398 | 0.91 | KDM4E (0.36) | CYP2C19GRM2GRM3GRM4TDP1 | |
| SCHEMBL15542106 | 0.86 | KDM4E (0.41) | CYP2C19GRM2GRM3GRM4TDP1 | |
| SCHEMBL15542396 | 0.86 | KDM4E (0.41) | CYP2C19GRM2GRM3GRM4TDP1 | |
| SCHEMBL15121488 | 0.86 | KDM4E (0.41) | CYP2C19GRM2GRM3GRM4TDP1 | |
| SCHEMBL15557486 | 0.86 | KDM4E (0.41) | CYP2C19GRM2GRM3GRM4TDP1 | |
| SCHEMBL3543659 | 0.85 | SMN1; SMN2 (0.40) | CYP2C19GRM2GRM3GRM4TDP1 | |
| SCHEMBL15541993 | 0.82 | — | — | |
| SCHEMBL9977512 | 0.78 | CYP2C19 (0.59) | CYP2C19GRM2GRM3GRM4TDP1 | |
| SCHEMBL25855066 | 0.78 | CYP2C19 (0.59) | CYP2C19GRM2GRM3GRM4TDP1 | |
| SCHEMBL29856070 | 0.76 | CYP2C19 (0.55) | CYP2C19GRM2GRM3GRM4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1446115-B1 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-02-27 | — | — | EP | claimed |