Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 7/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2648050 | 0.85 | CNR1 (0.39) | GAAMAPTPOLBTDP1L3MBTL1 | |
| SCHEMBL2649657 | 0.85 | GAA (0.44) | PTGS2GAANPSR1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL2662079 | 0.84 | GAA (0.43) | PTGS2GAANPSR1SMN1; SMN2MAPT | |
| SCHEMBL7441207 | 0.83 | JAK1 (0.38) | PTGS2GAANPSR1SMN1; SMN2POLB | |
| SCHEMBL2649011 | 0.82 | GAA (0.40) | PTGS2GAANPSR1SMN1; SMN2MAPT | |
| SCHEMBL7434904 | 0.82 | GAA (0.38) | PTGS2GAANPSR1SMN1; SMN2MAPT | |
| SCHEMBL2650198 | 0.81 | PSD (0.42) | PTGS2SMN1; SMN2MAPTPOLBMEN1 | |
| SCHEMBL2649301 | 0.80 | MAPT (0.43) | GAANPSR1SMN1; SMN2MAPTTDP1 | |
| SCHEMBL2650368 | 0.80 | GAA (0.40) | PTGS2GAANPSR1SMN1; SMN2MAPT | |
| SCHEMBL2649535 | 0.80 | GAA (0.43) | PTGS2GAANPSR1SMN1; SMN2MAPT |
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-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | disclosed |