Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5531782 | 0.80 | KDM4E (0.42) | KDM4EKMT2APARP1BTKSLC9A1 | |
| SCHEMBL5140428 | 0.79 | THRB (0.39) | PARP1OPRM1KCNH2 | |
| SCHEMBL5134123 | 0.78 | KMT2A (0.41) | ALDH1A1KDM4EGAAKMT2AMAPK1 | |
| SCHEMBL5140672 | 0.74 | PARP2 (0.40) | KDM4EKMT2ASMN1; SMN2PARP1BTK | |
| SCHEMBL5134528 | 0.74 | THRB (0.38) | PARP1OPRM1OPRK1 | |
| SCHEMBL5527850 | 0.71 | KDM4E (0.42) | KDM4EKMT2APARP1BTKSLC9A1 | |
| SCHEMBL5134327 | 0.68 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAAKMT2AMAPK1 | |
| SCHEMBL5134330 | 0.66 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAAKMT2AMAPK1 | |
| SCHEMBL5135453 | 0.66 | THRB (0.40) | PARP1OPRM1OPRK1KCNH2 | |
| SCHEMBL29974726 | 0.65 | OPRM1 (0.39) | ALDH1A1GAAKMT2AHPGDHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1942893-A2 | PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | Merck & Co., Inc. (US) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007053400-A2 | PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | MERCK & CO., INC. (US) | 2007-05-10 | — | — | WO | disclosed |