Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 3/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11840072 | 0.75 | GAA (0.48) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL3971963 | 0.72 | HTR6 (0.56) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL6265807 | 0.71 | HTR6 (0.60) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL11874541 | 0.71 | ALDH1A1 (0.44) | CA2CA1CA9ALDH1A1HTT | |
| SCHEMBL742011 | 0.70 | PKM (0.46) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL28326313 | 0.70 | HTR6 (0.58) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL10589802 | 0.69 | POLB (0.36) | CA2CA12CA1CA9ALDH1A1 | |
| SCHEMBL28111502 | 0.69 | ALDH1A1 (0.42) | HTR6CA2CA12CA1CA4 | |
| SCHEMBL11878954 | 0.68 | CA1 (0.44) | CA2CA1ALDH1A1HTTMAPT | |
| SCHEMBL2117356 | 0.67 | CA2 (0.67) | HTR6CA2CA12CA1CA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1118468-C | Pyrazolopyrimidines and pyrazolotriazines | HOFFMANN LA ROCHE (CH) | 2003-08-20 | — | — | CN | disclosed |
| CN-1236780-A | Pyrazolopyrimidines and pyrazolotriazines | HOFFMANN LA ROCHE (CH) | 1999-12-01 | — | — | CN | disclosed |