Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.66 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.66 |
| ▸ | DRD2 | P14416 | 4/20 | 0.50 |
| ▸ | DRD3 | P35462 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3291179 | 1.00 | GRIN1 (0.66) | GRIN1GRIN2BDRD2DRD3CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL5699605 | 1.00 | GRIN1 (0.66) | GRIN1GRIN2BDRD2DRD3CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3292887 | 1.00 | GRIN1 (0.66) | GRIN1GRIN2BDRD2DRD3CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3291257 | 0.90 | GRIN1 (0.51) | GRIN1GRIN2BDRD2DRD3DRD4 | |
| Trifluoroacetic Acid SCHEMBL5699510 | 0.90 | GRIN1 (0.51) | GRIN1GRIN2BDRD2DRD3DRD4 | |
| Trifluoroacetic Acid SCHEMBL5699541 | 0.90 | GRIN1 (0.51) | GRIN1GRIN2BDRD2DRD3DRD4 | |
| Trifluoroacetic Acid SCHEMBL3290152 | 0.90 | GRIN1 (0.51) | GRIN1GRIN2BDRD2DRD3DRD4 | |
| Trifluoroacetic Acid SCHEMBL3291406 | 0.89 | DRD2 (0.50) | GRIN1GRIN2BDRD2DRD3DRD4 | |
| Trifluoroacetic Acid SCHEMBL5699593 | 0.89 | DRD2 (0.50) | GRIN1GRIN2BDRD2DRD3DRD4 | |
| Trifluoroacetic Acid SCHEMBL5699540 | 0.88 | DRD2 (0.54) | GRIN1GRIN2BDRD2DRD3DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1692129-A1 | KETO LACTAM COMPOUNDS AND USE THEREOF | Abbott GmbH & Co. KG (DE) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005056546-A1 | KETO LACTAM COMPOUNDS AND USE THEREOF | ABBOTT GMBH & CO. KG (DE) | 2005-06-23 | — | — | WO | disclosed |