Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1723448 | 0.82 | MAPT (0.35) | KMT2AMEN1TSHRCA2KDM4E | |
| SCHEMBL2823560 | 0.82 | KMT2A (0.35) | KMT2AMEN1TSHRCA2HTT | |
| SCHEMBL1721479 | 0.80 | MEN1 (0.41) | KMT2AMEN1KDM4EALDH1A1HPGD | |
| SCHEMBL1723329 | 0.79 | F2 (0.37) | KMT2AMEN1CA2KDM4EALDH1A1 | |
| SCHEMBL3092788 | 0.78 | NR1H2 (0.44) | KMT2AMEN1TSHRCA2HTT | |
| SCHEMBL12803333 | 0.78 | NR1H2 (0.44) | KMT2AMEN1TSHRCA2HTT | |
| SCHEMBL2818871 | 0.72 | ATM (0.35) | KMT2AKDM4EALDH1A1 | |
| SCHEMBL2823122 | 0.71 | ALDH1A1 (0.38) | KMT2AMEN1KDM4EALDH1A1HPGD | |
| SCHEMBL2821666 | 0.70 | RAB9A (0.36) | TSHRKDM4EHPGD | |
| SCHEMBL31345635 | 0.70 | GLP1R (0.48) | KMT2AMEN1TSHRADORA2BCA2 |
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 |