Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5035975 | 0.82 | POLB (0.52) | ALDH1A1 | |
| SCHEMBL8282928 | 0.80 | TSHR (0.57) | ALDH1A1KDM4EL3MBTL1NPSR1TSHR | |
| SCHEMBL4424079 | 0.80 | NPC1 (0.54) | ALDH1A1KDM4EL3MBTL1NPSR1TSHR | |
| SCHEMBL4423396 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4EL3MBTL1NPSR1TSHR | |
| SCHEMBL4433042 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4EL3MBTL1NPSR1TSHR | |
| SCHEMBL4424040 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KDM4EL3MBTL1NPSR1TSHR | |
| SCHEMBL13673758 | 0.73 | KDM4E (0.60) | ALDH1A1KDM4EL3MBTL1NPSR1TSHR | |
| SCHEMBL4421527 | 0.73 | ALDH1A1 (0.60) | ALDH1A1KDM4EL3MBTL1NPSR1TSHR | |
| SCHEMBL4433628 | 0.72 | ALDH1A1 (0.45) | ALDH1A1KDM4EL3MBTL1NPSR1TSHR | |
| SCHEMBL4423371 | 0.72 | ALDH1A1 (0.51) | ALDH1A1KDM4EL3MBTL1NPSR1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1723116-B1 | TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS | MERZ PHARMA GMBH & CO KGAA (DE) | 2008-09-24 | — | — | EP | claimed |