Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.31 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2231425 | 0.88 | HTR1A (0.36) | HTR1ADRD2HTR7HTR2CHRH1 | |
| SCHEMBL9682204 | 0.79 | NOTUM (0.35) | DRD2HTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL1764398 | 0.76 | HTR1A (0.44) | HTR1ADRD2HTR7HTR2CHRH1 | |
| SCHEMBL1764037 | 0.75 | HDAC1 (0.47) | HTR1ADRD2HTR7HTR2CHRH1 | |
| SCHEMBL8556355 | 0.66 | HTR1A (0.55) | HTR1ADRD2HTR7HTR2CHRH1 | |
| SCHEMBL10559978 | 0.65 | NOTUM (0.44) | NOTUM | |
| SCHEMBL1764561 | 0.65 | HDAC1 (0.48) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL6769139 | 0.65 | HDAC1 (0.46) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL4427655 | 0.65 | HDAC1 (0.46) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL6765782 | 0.65 | HDAC1 (0.46) | HDAC1HDAC6HDAC2HDAC3HDAC4 |
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-1751116-B1 | Pyrimidine compounds and use thereof in the treatment of central nervous system disorders | ABBOTT GMBH & CO KG (DE) | 2013-07-31 | — | — | EP | disclosed |
| EP-2361908-A1 | Pyrimidine compounds useful for the treatment of CNS diseases | Abbott GmbH & Co. KG (DE) | 2011-08-31 | — | — | EP | disclosed |