Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4433703 | 0.92 | ALDH1A1 (0.41) | ALDH1A1HTTSMN1; SMN2HPGDCYP11B2 | |
| SCHEMBL4424890 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HTTSMN1; SMN2HPGDCYP11B2 | |
| SCHEMBL4421868 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HTTSMN1; SMN2HPGDCYP11B2 | |
| SCHEMBL4429578 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HTTSMN1; SMN2HPGDCYP11B2 | |
| SCHEMBL4429474 | 0.84 | ALDH1A1 (0.43) | ALDH1A1HTTSMN1; SMN2HPGDCYP11B2 | |
| SCHEMBL4422416 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HTTSMN1; SMN2HPGDCYP11B2 | |
| SCHEMBL4422670 | 0.77 | ALDH1A1 (0.57) | ALDH1A1HTTSMN1; SMN2HPGDCYP11B2 | |
| SCHEMBL4422437 | 0.74 | POLB (0.49) | ALDH1A1HTTKDM4EPOLB | |
| SCHEMBL4433330 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HTTCYP2C19NPC1RAB9A | |
| SCHEMBL4433266 | 0.73 | POLB (0.47) | ALDH1A1HTTSMN1; SMN2HPGDNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005082856-A2 | TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2005-09-09 | — | — | WO | disclosed |