Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.66 |
| ▸ | HTR2C | P28335 | 2/20 | 0.66 |
| ▸ | HTR2B | P41595 | 2/20 | 0.66 |
| ▸ | KDM1A | O60341 | 10/20 | 0.36 |
| ▸ | MAOA | P21397 | 10/20 | 0.36 |
| ▸ | MAOB | P27338 | 10/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9381070 | 0.79 | HTR2A (0.66) | HTR2AHTR2CHTR2BKDM1AABCB1 | |
| SCHEMBL9381062 | 0.79 | HTR2A (0.66) | HTR2AHTR2CHTR2BKDM1AABCB1 | |
| SCHEMBL4436188 | 0.79 | HTR2C (1.00) | HTR2AHTR2CHTR2BMAOAMAOB | |
| SCHEMBL9381065 | 0.79 | HTR2A (0.66) | HTR2AHTR2CHTR2BKDM1AABCB1 | |
| SCHEMBL11139872 | 0.75 | HTT (0.42) | HTR2AHTR2CHTR2BKDM1AMAOA | |
| SCHEMBL9191563 | 0.75 | HTR2A (0.59) | HTR2AHTR2CHTR2BKDM1AABCB1 | |
| SCHEMBL7969534 | 0.75 | HTR2A (0.59) | HTR2AHTR2CHTR2BKDM1AABCB1 | |
| SCHEMBL9191573 | 0.75 | HTR2A (0.59) | HTR2AHTR2CHTR2BKDM1AABCB1 | |
| SCHEMBL19730905 | 0.74 | HTR2A (0.58) | HTR2AHTR2CHTR2BKDM1AMAOA | |
| SCHEMBL19730903 | 0.74 | HTR2A (0.58) | HTR2AHTR2CHTR2BKDM1AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-7160875-B2 | Malonamide derivatives | HOFFMANN-LA RACHE INC. (US) | 2007-01-09 | — | — | US | disclosed |
| WO-2005023772-A1 | MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-17 | — | — | WO | disclosed |