Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | EGFR | P00533 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | SRC | P12931 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.49 |
| ▸ | FEN1 | P39748 | 1/20 | 0.49 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14288822 | 0.88 | ALDH1A1 (0.71) | ALDH1A1EGFRKDM4EKMT2AMEN1 | |
| SCHEMBL1685948 | 0.85 | ALDH1A1 (0.77) | ALDH1A1EGFRKDM4EKMT2AMEN1 | |
| SCHEMBL29524438 | 0.83 | ALDH1A1 (0.56) | ALDH1A1EGFRKDM4EKMT2AMEN1 | |
| SCHEMBL10672789 | 0.83 | ALDH1A1 (0.56) | ALDH1A1EGFRKDM4EKMT2AMEN1 | |
| SCHEMBL13450536 | 0.82 | ALDH1A1 (0.78) | ALDH1A1KDM4EKMT2AMEN1NPC1 | |
| SCHEMBL7437202 | 0.81 | ALDH1A1 (0.62) | ALDH1A1EGFRKDM4EKMT2AMEN1 | |
| SCHEMBL12374652 | 0.81 | PADI4 (0.60) | ALDH1A1KDM4EKMT2AMEN1NPC1 | |
| SCHEMBL10669287 | 0.81 | ALDH1A1 (0.54) | ALDH1A1EGFRKDM4EKMT2AMEN1 | |
| SCHEMBL20670034 | 0.80 | GPR3 (0.54) | ALDH1A1KDM4EKMT2APGRNPC1 | |
| SCHEMBL12168225 | 0.79 | POLB (0.62) | ALDH1A1EGFRKDM4EKMT2AMEN1 |
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-2609086-A1 | SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025239-A1 | SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2012-03-01 | — | — | WO | disclosed |