Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | FOS | P01100 | 1/20 | 0.41 |
| ▸ | JUN | P05412 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5282772 | 0.90 | L3MBTL1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL5282395 | 0.89 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL5277000 | 0.88 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL5279716 | 0.87 | CYP1A2 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL5280788 | 0.85 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL5286570 | 0.84 | NPSR1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL5114750 | 0.84 | CYP1A2 (0.72) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL5280063 | 0.80 | CYP1A2 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL5125116 | 0.80 | MEN1 (0.64) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL5282264 | 0.79 | L3MBTL1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB |
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-1866289-A1 | PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF | Bayer HealthCare AG (DE) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006097220-A1 | PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF | BAYER HEALTHCARE AG (DE) | 2006-09-21 | — | — | WO | disclosed |