Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1721617 | 0.90 | PTGDR2 (0.38) | ALDH1A1KDM4ERXFP1TDP1DHODH | |
| SCHEMBL1721217 | 0.89 | ALDH1A1 (0.36) | ALDH1A1PRNPKDM4ERXFP1TDP1 | |
| SCHEMBL1722147 | 0.82 | DHODH (0.41) | ALDH1A1PRNPKDM4ERXFP1TDP1 | |
| SCHEMBL1721369 | 0.80 | GAA (0.34) | ALDH1A1PRNPKDM4ERXFP1TDP1 | |
| SCHEMBL3103722 | 0.80 | SMN1; SMN2 (0.41) | ALDH1A1PRNPKDM4EMAPTLMNA | |
| SCHEMBL1721273 | 0.73 | TSHR (0.41) | ALDH1A1PRNPKDM4ETDP1MAPT | |
| SCHEMBL1721616 | 0.72 | DHODH (0.46) | ALDH1A1KDM4ERXFP1TDP1DHODH | |
| SCHEMBL1723329 | 0.72 | F2 (0.37) | ALDH1A1PRNPKDM4EMAPTDHODH | |
| SCHEMBL1721697 | 0.71 | F2 (0.36) | ALDH1A1KDM4ERXFP1MAPTLMNA | |
| SCHEMBL1721484 | 0.71 | ELANE (0.41) | MAPTLMNASMN1; SMN2ELANETSHR |
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-2406229-A1 | SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010102811-A1 | SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS | Grünenthal GmbH (DE) | 2010-09-16 | — | — | WO | disclosed |