Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13639569 | 0.79 | MDM2 (0.39) | GRM2GRM3TP53MDM2HTR2A | |
| SCHEMBL13639530 | 0.79 | MDM2 (0.37) | SLC9A1GRM2GRM3TP53MDM2 | |
| SCHEMBL13639533 | 0.75 | MDM2 (0.49) | SLC6A2TP53MDM2 | |
| SCHEMBL24737323 | 0.67 | NOTUM (0.40) | SLC9A1GRM2GRM3SLC6A3PARP1 | |
| SCHEMBL29879161 | 0.67 | NOTUM (0.40) | SLC9A1GRM2GRM3SLC6A3PARP1 | |
| SCHEMBL29879885 | 0.65 | TRPM4 (0.41) | SLC9A1GRM2GRM3SLC6A3TAAR1 | |
| SCHEMBL29879030 | 0.65 | TRPM4 (0.41) | SLC9A1GRM2GRM3SLC6A3TAAR1 | |
| SCHEMBL24737366 | 0.65 | TRPM4 (0.41) | SLC9A1GRM2GRM3SLC6A3TAAR1 | |
| SCHEMBL21058147 | 0.65 | TP53 (0.48) | SLC9A1SLC6A3SLC6A2TP53MDM2 | |
| SCHEMBL24378373 | 0.65 | TP53 (0.48) | SLC9A1SLC6A3SLC6A2TP53MDM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2340021-B1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | HOFFMANN LA ROCHE (CH) | 2012-11-07 | — | — | EP | disclosed |