Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | REN | P00797 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6095880 | 1.00 | DRD2 (0.54) | DRD2HTR3ASLC6A3SLC6A4SLC6A2 | |
| SCHEMBL652650 | 1.00 | DRD2 (0.54) | DRD2HTR3ASLC6A3SLC6A4SLC6A2 | |
| SCHEMBL15171007 | 1.00 | DRD2 (0.54) | DRD2HTR3ASLC6A3SLC6A4SLC6A2 | |
| SCHEMBL6095883 | 1.00 | DRD2 (0.54) | DRD2HTR3ASLC6A3SLC6A4SLC6A2 | |
| SCHEMBL16422778 | 0.83 | KCNH2 (0.38) | DRD2SLC6A3SLC6A4SLC6A2REN | |
| SCHEMBL16372401 | 0.83 | OPRM1 (0.46) | RENCYP3A4KCNH2 | |
| SCHEMBL11426560 | 0.83 | OPRM1 (0.46) | RENCYP3A4KCNH2 | |
| SCHEMBL14028086 | 0.83 | OPRM1 (0.46) | RENCYP3A4KCNH2 | |
| SCHEMBL655610 | 0.82 | DRD2 (0.53) | DRD2HTR3ASLC6A3SLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL4614517 | 0.81 | OPRM1 (0.44) | RENCYP3A4KCNH2MAOBALDH1A1 |
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-2004080460-A1 | SUBSTITUTED PIPERIDINES AS NOVEL MDM2-p53 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-23 | — | — | WO | disclosed |