Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CDK9 | P50750 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28548192 | 0.85 | POLB (0.55) | HDAC2ALDH1A1SMN1; SMN2GAAPOLB | |
| SCHEMBL16964230 | 0.84 | HDAC2 (0.57) | HDAC2ALDH1A1SMN1; SMN2GAAPOLB | |
| SCHEMBL7102450 | 0.81 | HDAC2 (0.58) | HDAC2ALDH1A1SMN1; SMN2GAAPOLB | |
| SCHEMBL10067641 | 0.80 | MME (0.59) | ALDH1A1SMN1; SMN2GAAPOLBMEN1 | |
| SCHEMBL27709662 | 0.80 | ALDH1A1 (0.54) | HDAC2ALDH1A1SMN1; SMN2GAAPOLB | |
| SCHEMBL21477715 | 0.80 | ALDH1A1 (0.47) | HDAC2ALDH1A1SMN1; SMN2GAAPOLB | |
| SCHEMBL21477716 | 0.80 | ALDH1A1 (0.47) | HDAC2ALDH1A1SMN1; SMN2GAAPOLB | |
| SCHEMBL4594451 | 0.79 | MEN1 (0.62) | HDAC2ALDH1A1SMN1; SMN2GAAPOLB | |
| SCHEMBL28022968 | 0.79 | POLB (0.53) | HDAC2ALDH1A1SMN1; SMN2GAAPOLB | |
| SCHEMBL4888030 | 0.79 | ROCK1 (0.54) | HDAC2ALDH1A1SMN1; SMN2GAAPOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2220080-B1 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2012-01-04 | — | — | EP | disclosed |
| EP-2231655-B1 | 4(-3-(-2-(PHENYL)MORPHOLINO)-2-OXOPYRROLIDIN-1-YL)-N-(THIAZOL-2-YL)BENZENESULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN | VERTEX PHARMA (US) | 2011-08-31 | — | — | EP | disclosed |
| WO-2009064752-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-22 | — | — | WO | disclosed |
| WO-2009064747-A2 | 4(-3-(-2-(PHENYL)MORPHOLINO)-2-OXOPYRROLIDIN-1-YL)-N-(THIAZOL-2-YL)BENZENESULFONAMIDE DERIVATI VES AND RELATED COMPOUNDS AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-22 | — | — | WO | disclosed |