Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL102449 | 0.74 | RAB9A (0.41) | ALDH1A1MEN1KMT2AADORA2AADORA1 | |
| SCHEMBL2092720 | 0.71 | ENPP3 (0.46) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL21436 | 0.68 | — | — | |
| SCHEMBL5535623 | 0.68 | HTR7 (0.37) | ALDH1A1MEN1USP2CYP2D6KMT2A | |
| SCHEMBL8632924 | 0.68 | MAOA (0.35) | ALDH1A1MEN1USP2CYP2D6KMT2A | |
| SCHEMBL5333405 | 0.68 | FYN (0.37) | ALDH1A1MEN1USP2CYP2D6KMT2A | |
| SCHEMBL7191487 | 0.68 | LPL (0.46) | ALDH1A1CYP2D6CYP2C19ADORA2ACYP1A2 | |
| SCHEMBL27742260 | 0.67 | HRH3 (0.46) | ALDH1A1TP53HSD17B10 | |
| SCHEMBL2096696 | 0.67 | AHR (0.46) | — | |
| SCHEMBL9488955 | 0.67 | NPC1 (0.40) | ALDH1A1MEN1USP2KMT2ATP53 |
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-0993450-A1 | NEW COMPOUNDS | Astra Aktiebolag (publ) (SE) | 2000-04-19 | — | — | EP | disclosed |
| WO-1999001438-A1 | NEW COMPOUNDS | ASTRA AKTIEBOLAG (PUBL) (SE) | 1999-01-14 | — | — | WO | disclosed |