Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | WDR5 | P61964 | 11/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL10867548 | 1.00 | ALDH1A1 (0.53) | ALDH1A1GAALMNAWDR5KMT2A | |
| SCHEMBL10375434 | 0.91 | ALDH1A1 (0.50) | ALDH1A1GAALMNAWDR5KMT2A | |
| SCHEMBL10375294 | 0.82 | KMT2A (0.48) | ALDH1A1GAALMNAKMT2ACYP2D6 | |
| SCHEMBL10375293 | 0.79 | KMT2A (0.43) | ALDH1A1GAAKMT2APOLBMEN1 | |
| SCHEMBL10375295 | 0.79 | KMT2A (0.43) | ALDH1A1GAAKMT2APOLBMEN1 | |
| SCHEMBL282589 | 0.78 | ALDH1A1 (0.62) | ALDH1A1GAALMNAWDR5KMT2A | |
| SCHEMBL10377358 | 0.77 | NPC1 (0.50) | ALDH1A1KMT2APOLBMEN1 | |
| SCHEMBL10377541 | 0.77 | NPC1 (0.50) | ALDH1A1KMT2APOLBMEN1 | |
| SCHEMBL10376659 | 0.76 | KMT2A (0.51) | ALDH1A1LMNAKMT2APOLBMEN1 | |
| SCHEMBL10375206 | 0.76 | PDE4D (0.56) | ALDH1A1LMNAPOLBMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0169712-A2 | New pyrimidine derivatives, processes for preparation thereof and composition containing the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-01-29 | — | — | EP | disclosed |