Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | NEK2 | P51955 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28049210 | 0.79 | NR3C2 (0.40) | LMNAIDO1 | |
| SCHEMBL3468178 | 0.79 | ADORA2A (0.50) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL28683096 | 0.78 | PARP1 (0.45) | PARP10PARP3ALDH1A1KDM4ELMNA | |
| SCHEMBL30108240 | 0.78 | PARP1 (0.45) | PARP10PARP3ALDH1A1KDM4ELMNA | |
| SCHEMBL6747763 | 0.75 | MAPK1 (0.42) | ALDH1A1ALDH5A1ABATKDM4ELMNA | |
| SCHEMBL28982335 | 0.74 | PTGS2 (0.49) | LMNA | |
| SCHEMBL8445737 | 0.72 | BRD4 (0.46) | ALDH1A1ALDH5A1ABATKDM4ELMNA | |
| SCHEMBL30665107 | 0.70 | MKNK1 (0.54) | ALDH1A1LMNAMKNK1MKNK2CYP2A6 | |
| SCHEMBL30668220 | 0.70 | MKNK1 (0.54) | ALDH1A1LMNAMKNK1MKNK2CYP2A6 | |
| SCHEMBL2228105 | 0.70 | MKNK1 (0.54) | ALDH1A1LMNAMKNK1MKNK2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058265-A1 | COMPOUND LIBRARIES OF 2,3-SUBSTITUTED PYRAZINE DERIVATIVES CAPABLE OF BINDING TO G-PROTEIN COUPLED RECEPTORS | BIOFOCUS PLC (GB) | 2004-07-15 | — | — | WO | disclosed |