Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5279567 | 0.86 | ALDH1A1 (0.56) | ALDH1A1LMNASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL5282908 | 0.84 | S1PR1 (0.41) | ALDH1A1LMNASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL5282395 | 0.82 | ALDH1A1 (0.64) | ALDH1A1LMNASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL5299485 | 0.82 | PDGFRB (0.38) | ALDH1A1LMNASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL5280752 | 0.81 | KMO (0.39) | ALDH1A1LMNASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL5298454 | 0.81 | CYP1A2 (0.39) | ALDH1A1LMNASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL5283750 | 0.81 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL5280707 | 0.79 | KMT2A (0.40) | ALDH1A1MAPTPOLBL3MBTL1KMT2A | |
| SCHEMBL5281477 | 0.79 | PDGFRB (0.43) | ALDH1A1SMN1; SMN2ATMNPC1L3MBTL1 | |
| SCHEMBL5286570 | 0.79 | NPSR1 (0.66) | ALDH1A1LMNASMN1; SMN2MAPTMAPK1 |
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 |