Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2637523 | 0.89 | FFAR4 (0.44) | ALDH1A1GAAKDM4EHPGDCYP2C19 | |
| SCHEMBL2637663 | 0.89 | PGR (0.42) | ALDH1A1GAAKDM4EHPGDCYP2C19 | |
| SCHEMBL3412133 | 0.75 | KEAP1 (0.46) | ALDH1A1GAACYP2C19MAPTCA12 | |
| SCHEMBL2637343 | 0.72 | ALDH1A1 (0.46) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL2637795 | 0.72 | MEN1 (0.44) | ALDH1A1GAAKDM4EHPGDMAPT | |
| SCHEMBL2637170 | 0.71 | MAPT (0.43) | ALDH1A1GAAKDM4EHPGDMAPT | |
| SCHEMBL2637507 | 0.71 | ERCC1 (0.47) | ALDH1A1GAAKDM4EHPGDMAPT | |
| SCHEMBL2637590 | 0.69 | KDM4E (0.41) | ALDH1A1GAAKDM4EHPGDCYP2C19 | |
| SCHEMBL3411702 | 0.69 | CYP1A2 (0.53) | ALDH1A1GAAKDM4EHPGDCYP2C19 | |
| SCHEMBL2637580 | 0.68 | GRM5 (0.44) | ALDH1A1KDM4ELMNAMEN1KMT2A |
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-2438070-A1 | GLYCINE B ANTAGONISTS | Merz Pharma GmbH & Co. KGaA (DE) | 2012-04-11 | — | — | EP | disclosed |
| WO-2010139483-A1 | GLYCINE B ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-12-09 | — | — | WO | disclosed |