Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.33 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.32 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17457715 | 0.86 | SMYD3 (0.39) | SMYD3KDM1APADI1PADI4DRD2 | |
| SCHEMBL16119468 | 0.86 | SMYD3 (0.39) | SMYD3KDM1APADI1PADI4DRD2 | |
| SCHEMBL23837376 | 0.83 | SMYD3 (0.34) | SMYD3 | |
| SCHEMBL23837280 | 0.83 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL18797980 | 0.82 | NAMPT (0.35) | DRD2NAMPT | |
| SCHEMBL22667381 | 0.82 | MTNR1A (0.41) | DRD2NAMPTHTR1ALMNAALDH1A1 | |
| SCHEMBL23130007 | 0.79 | AAK1 (0.32) | — | |
| SCHEMBL19663642 | 0.79 | MAPT (0.34) | — | |
| SCHEMBL20053172 | 0.79 | ITGB3 (0.33) | — | |
| SCHEMBL19662925 | 0.79 | DHODH (0.30) | L3MBTL1 |
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-9944658-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2018-04-17 | — | — | US | disclosed |