Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 7/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1722425 | 0.93 | LMNA (0.49) | LMNAMAPK1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1723252 | 0.92 | LMNA (0.53) | LMNAMAPK1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1721937 | 0.89 | ALDH1A1 (0.50) | LMNAMAPK1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1722590 | 0.89 | LMNA (0.53) | LMNAMAPK1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1721220 | 0.89 | LMNA (0.53) | LMNAMAPK1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1722033 | 0.87 | CYP1A2 (0.52) | LMNAMAPK1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1722508 | 0.86 | LMNA (0.51) | LMNAMAPK1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1722432 | 0.85 | HPGD (0.48) | LMNAMAPK1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1721225 | 0.85 | CYP1A2 (0.49) | LMNAMAPK1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1723288 | 0.84 | ALDH1A1 (0.52) | LMNAMAPK1ALDH1A1MAPTSMN1; SMN2 |
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 |