Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 10/20 | 0.41 |
| ▸ | HTR7 | P34969 | 10/20 | 0.41 |
| ▸ | DRD2 | P14416 | 6/20 | 0.41 |
| ▸ | HTR2A | P28223 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4624014 | 0.96 | DRD2 (0.40) | HTR1AHTR7DRD2HTR2AMEN1 | |
| SCHEMBL4623336 | 0.94 | HTR1A (0.42) | HTR1AHTR7DRD2HTR2AMEN1 | |
| SCHEMBL4624016 | 0.90 | HTR1A (0.41) | HTR1AHTR7DRD2HTR2AMEN1 | |
| SCHEMBL4887001 | 0.86 | MEN1 (0.41) | HTR1AHTR7DRD2HTR2AMEN1 | |
| SCHEMBL4621951 | 0.85 | MEN1 (0.47) | HTR2AMEN1NPC1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL4886318 | 0.84 | MEN1 (0.47) | HTR2AMEN1NPC1LMNAMAPT | |
| SCHEMBL4623880 | 0.84 | MEN1 (0.44) | HTR1AHTR7DRD2HTR2AMEN1 | |
| Hydrochloric Acid SCHEMBL4880069 | 0.83 | MEN1 (0.43) | HTR1AHTR7DRD2HTR2AMEN1 | |
| SCHEMBL14020199 | 0.83 | DRD2 (0.40) | HTR1AHTR7DRD2HTR2AMEN1 | |
| SCHEMBL4621974 | 0.82 | ACHE (0.47) | HTR1AHTR7DRD2HTR2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1904479-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | Sanofi-Aventis (FR) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007006926-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2007-01-18 | — | — | WO | disclosed |