Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29102168 | 0.80 | MAPT (0.47) | SMN1; SMN2MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL4016110 | 0.76 | HSPB1 (0.54) | ALDH1A1HTTTDP1ATMPTGS1 | |
| SCHEMBL2271210 | 0.74 | SMN1; SMN2 (0.54) | SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31556306 | 0.73 | SMN1; SMN2 (0.53) | SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3318989 | 0.73 | SMN1; SMN2 (0.53) | SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4893554 | 0.72 | TSHR (0.50) | NPSR1CYP1A2HSD17B10CES2CES1 | |
| SCHEMBL18298485 | 0.71 | MEN1 (0.47) | SMN1; SMN2HSD17B10CES2CES1LMNA | |
| SCHEMBL540381 | 0.71 | MAPT (0.45) | SMN1; SMN2NPSR1CYP1A2HSD17B10CES2 | |
| SCHEMBL5552463 | 0.71 | HSD17B10 (0.56) | SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30072571 | 0.71 | HSD17B10 (0.52) | SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7452880-B2 | Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same | F. HOFFMANN-LA ROCHE AG (CH) | 2008-11-18 | — | — | US | disclosed |