Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PRNP | P04156 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL1721479 | 0.89 | MEN1 (0.41) | MAPTPOLBCYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL1721697 | 0.87 | F2 (0.36) | F2F10PLGPRSS1MAPT | |
| SCHEMBL1721217 | 0.84 | ALDH1A1 (0.36) | F2F10PLGPRSS1MAPT | |
| SCHEMBL3101230 | 0.81 | SMN1; SMN2 (0.44) | F2F10PLGPRSS1MAPT | |
| SCHEMBL1721487 | 0.79 | KMT2A (0.37) | CA2KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL1723131 | 0.77 | PDE5A (0.39) | MAPTPOLBCYP2C9CYP2C19KMT2A | |
| SCHEMBL3098815 | 0.72 | ALDH1A1 (0.46) | F2F10PLGPRSS1MAPT | |
| SCHEMBL1722088 | 0.71 | KMT2A (0.45) | F2MAPTLMNAPOLBCYP2C9 | |
| SCHEMBL20558 | 0.70 | KDM4E (0.47) | MAPTHSP90AA1KMT2AKDM4EMEN1 | |
| SCHEMBL3103722 | 0.70 | SMN1; SMN2 (0.41) | F2F10PLGPRSS1MAPT |
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 |