Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 12/20 | 0.56 |
| ▸ | DRD2 | P14416 | 9/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CDC25A | P30304 | 1/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4705240 | 0.95 | DRD3 (0.58) | DRD3DRD2KCNH2ALDH1A1MAPT | |
| SCHEMBL4704001 | 0.92 | DRD3 (0.55) | DRD3DRD2KCNH2ALDH1A1MAPT | |
| SCHEMBL4702317 | 0.91 | DRD3 (0.56) | DRD3DRD2KCNH2ALDH1A1CYP3A4 | |
| SCHEMBL4704375 | 0.90 | DRD3 (0.49) | DRD3DRD2KCNH2HRH1 | |
| SCHEMBL4701331 | 0.89 | DRD3 (0.56) | DRD3DRD2KCNH2ALDH1A1MAPT | |
| SCHEMBL4387104 | 0.87 | DRD3 (0.59) | DRD3DRD2KCNH2ALDH1A1MAPT | |
| SCHEMBL4706365 | 0.86 | DRD3 (0.57) | DRD3DRD2KCNH2HRH1 | |
| SCHEMBL4701185 | 0.85 | DRD3 (0.57) | DRD3DRD2KCNH2ALDH1A1MAPT | |
| SCHEMBL6192786 | 0.85 | ALDH1A1 (0.53) | DRD3DRD2KCNH2ALDH1A1MAPT | |
| SCHEMBL4701336 | 0.85 | DRD3 (0.47) | DRD3DRD2KCNH2HRH1 |
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-1594861-B1 | TRIAZOLE COMPOUNDS AND THE THERAPEUTIC USE THEREOF | ABBOTT GMBH & CO KG (DE) | 2008-06-18 | — | — | EP | disclosed |