Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | F12 | P00748 | 2/20 | 0.48 |
| ▸ | F2 | P00734 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6867448 | 0.91 | HTT (0.56) | ALDH1A1TP53LMNAHTTPOLB | |
| SCHEMBL6871512 | 0.87 | KMT2A (0.49) | ALDH1A1LMNAADORA2AF12F2 | |
| SCHEMBL6870631 | 0.84 | LMNA (0.48) | ALDH1A1TP53LMNAADORA2AHTT | |
| SCHEMBL7114944 | 0.84 | ADORA2A (0.54) | ALDH1A1TP53LMNAADORA2AHTT | |
| SCHEMBL6863761 | 0.82 | HPGD (0.46) | ALDH1A1TP53LMNAHTTPOLB | |
| SCHEMBL6863441 | 0.82 | HPGD (0.45) | ALDH1A1TP53LMNAHTTPOLB | |
| SCHEMBL6872062 | 0.81 | TP53 (0.47) | ALDH1A1TP53LMNAHTTPOLB | |
| SCHEMBL6873996 | 0.81 | ADORA2A (0.55) | ALDH1A1TP53LMNAADORA2AHTT | |
| SCHEMBL6871570 | 0.81 | HPGD (0.46) | ALDH1A1TP53LMNAHTTPOLB | |
| SCHEMBL6871380 | 0.80 | MAPT (0.46) | ALDH1A1TP53LMNAADORA2AHTT |
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-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |