Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 8/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.41 |
| ▸ | PREP | P48147 | 1/20 | 0.38 |
| ▸ | FAP | Q12884 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368490 | 0.89 | AKT1 (0.39) | AKT1CDK2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL5378511 | 0.88 | AKT1 (0.39) | AKT1CDK2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL5366188 | 0.82 | DEGS1 (0.44) | AKT1CDK2SMYD3ALDH1A1 | |
| SCHEMBL5368190 | 0.79 | EPHX2 (0.52) | ALDH1A1 | |
| SCHEMBL5353674 | 0.73 | KDM1A (0.45) | ALDH1A1 | |
| SCHEMBL14425284 | 0.69 | SIGMAR1 (0.51) | GSK3BNAMPT | |
| SCHEMBL5362644 | 0.69 | SIGMAR1 (0.51) | GSK3BNAMPT | |
| SCHEMBL2859970 | 0.67 | PREP (0.55) | TAS1R3TAS1R1TAS1R2PREPFAP | |
| SCHEMBL2860717 | 0.65 | TAS1R3 (0.58) | TAS1R3TAS1R1TAS1R2PREPFAP | |
| SCHEMBL2860724 | 0.65 | PREP (0.55) | TAS1R3TAS1R1TAS1R2PREPFAP |
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 |