Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.73 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | GSK3B | P49841 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28295941 | 0.88 | ADORA3 (0.57) | TP53ADORA1ADORA2AMAPTHPGD | |
| SCHEMBL27872610 | 0.84 | TP53 (0.59) | TP53ADORA1ADORA2ACYP1A2GSK3B | |
| SCHEMBL11186008 | 0.80 | TP53 (0.80) | TP53GSK3BMAPTHPGDALDH1A1 | |
| SCHEMBL222027 | 0.79 | SMN1; SMN2 (0.68) | ADORA2AMAPTHPGDALDH1A1CA12 | |
| SCHEMBL17405142 | 0.79 | TP53 (0.86) | TP53ADORA1MAPTHPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL11188880 | 0.78 | TP53 (0.77) | TP53GSK3BMAPTHPGDALDH1A1 | |
| SCHEMBL8813883 | 0.78 | TP53 (0.83) | TP53ADORA1ADORA2AGSK3BMAPT | |
| SCHEMBL28850547 | 0.78 | TP53 (0.83) | TP53MAPTHPGDALDH1A1CA12 | |
| SCHEMBL17625949 | 0.75 | ALDH1A1 (0.56) | TP53ADORA1ADORA2AALDH1A1CA1 | |
| SCHEMBL562529 | 0.74 | ALDH1A1 (0.53) | TP53ADORA1ADORA2ACYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109776537-A | Purinedione as WNT pathway modulators | 新加坡科技研究局 | 2019-05-21 | — | — | CN | disclosed |