Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 2/20 | 0.33 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | FABP7 | O15540 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5284629 | 0.89 | ALDH1A1 (0.39) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL9745609 | 0.81 | ALDH1A1 (0.41) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL28499236 | 0.77 | TSHR (0.35) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL5289688 | 0.76 | ALDH1A1 (0.36) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL9199753 | 0.74 | ALDH1A1 (0.34) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL23536852 | 0.73 | ALDH1A1 (0.37) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL5029772 | 0.72 | SLC1A3 (0.37) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7765472 | 0.71 | KMT2A (0.36) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL9745618 | 0.71 | SLC1A3 (0.36) | ALDH1A1KMT2ASLC1A3SLC1A2SLC1A1 | |
| Phenylacetaldehyde SCHEMBL6378611 | 0.71 | CYP3A4 (0.36) | ALDH1A1KMT2AMEN1CYP3A4KDM4E |
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-2356103-A1 | NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS | Nycomed GmbH (DE) | 2011-08-17 | — | — | EP | disclosed |
| WO-2010055083-A1 | NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS | NYCOMED GMBH (DE) | 2010-05-20 | — | — | WO | disclosed |