Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11692698 | 0.84 | ALDH1A1 (0.45) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL7104370 | 0.81 | MAPT (0.50) | ALDH1A1CES2CES1TDP1HPGD | |
| SCHEMBL27383304 | 0.81 | ALDH1A1 (0.54) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL11464381 | 0.81 | MAPT (0.50) | ALDH1A1CES2CES1TDP1HPGD | |
| Hydrochloric Acid SCHEMBL4562959 | 0.79 | MAPT (0.48) | ALDH1A1CES2CES1TDP1HPGD | |
| SCHEMBL11685910 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11685915 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL11216329 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL469413 | 0.78 | ALDH1A1 (0.61) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL3246852 | 0.78 | KDM4E (0.53) | ALDH1A1LMNASMN1; SMN2HTTNPSR1 |
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-1753731-A2 | PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS | Pharmacia Corporation (US) | 2007-02-21 | — | — | EP | disclosed |
| WO-2004087677-A2 | PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS | PHARMACIA CORPORATION (US) | 2004-10-14 | — | — | WO | disclosed |