Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | DPP4 | P27487 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5367387 | 0.88 | SMN1; SMN2 (0.58) | SMN1; SMN2CYP2C19TDP1ALDH1A1PKM | |
| SCHEMBL5364603 | 0.84 | TPSAB1 (0.44) | DPP4OPRD1ITGB3ITGA2BHDAC8 | |
| SCHEMBL13655788 | 0.80 | SMYD3 (0.44) | DPP4OPRD1ITGB3ITGA2BHDAC8 | |
| SCHEMBL5359348 | 0.75 | DPP4 (0.57) | DPP4 | |
| SCHEMBL6583576 | 0.74 | POLB (0.64) | SMN1; SMN2CYP2C19TDP1ALDH1A1DPP4 | |
| SCHEMBL5366185 | 0.74 | POLB (0.64) | SMN1; SMN2CYP2C19TDP1ALDH1A1DPP4 | |
| SCHEMBL12660139 | 0.74 | KDM4E (0.64) | SMN1; SMN2ALDH1A1GAAKDM4E | |
| SCHEMBL5374449 | 0.73 | HSD17B10 (0.64) | SMN1; SMN2CYP2C19TDP1ALDH1A1PKM | |
| SCHEMBL12642700 | 0.71 | HTR2A (0.55) | SMN1; SMN2ALDH1A1LMNAGAAKDM4E | |
| SCHEMBL5367391 | 0.71 | CHRM1 (0.48) | OPRD1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |