Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PRNP | P04156 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1721369 | 0.88 | GAA (0.34) | MAPTL3MBTL1TSHRNPC1RAB9A | |
| SCHEMBL1721273 | 0.87 | TSHR (0.41) | MAPTL3MBTL1TSHRNPC1RAB9A | |
| SCHEMBL1721487 | 0.82 | KMT2A (0.37) | TSHRKDM4EKMT2AMEN1CA2 | |
| SCHEMBL1721217 | 0.81 | ALDH1A1 (0.36) | MAPTL3MBTL1TSHRNPC1RAB9A | |
| SCHEMBL1721484 | 0.81 | ELANE (0.41) | MAPTL3MBTL1TSHRNPC1RAB9A | |
| SCHEMBL1723160 | 0.80 | DYRK1A (0.38) | MAPTTSHRNPC1RAB9AHSD17B10 | |
| SCHEMBL3100597 | 0.80 | SMN1; SMN2 (0.40) | MAPTL3MBTL1TSHRNPC1RAB9A | |
| SCHEMBL2823560 | 0.78 | KMT2A (0.35) | MAPTL3MBTL1TSHRKDM4EKMT2A | |
| SCHEMBL4089333 | 0.77 | KMT2A (0.36) | MAPTL3MBTL1TSHRNPC1RAB9A | |
| SCHEMBL4088923 | 0.76 | CFTR (0.41) | MAPTL3MBTL1TSHRNPC1RAB9A |
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 |