Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28295946 | 0.88 | TP53 (0.73) | ADORA2AADORA1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL2656317 | 0.83 | ADORA3 (0.54) | ADORA3ADORA2AADORA2BADORA1RAB9A | |
| SCHEMBL222027 | 0.81 | SMN1; SMN2 (0.68) | ADORA3ADORA2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13989319 | 0.78 | GAA (0.73) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL30259904 | 0.78 | ADORA3 (0.48) | ADORA3ADORA2AADORA2BADORA1ALDH1A1 | |
| SCHEMBL12670300 | 0.78 | SMN1; SMN2 (0.59) | ADORA3ADORA2AADORA2BADORA1SMN1; SMN2 | |
| SCHEMBL11181809 | 0.78 | TP53 (0.58) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL17625949 | 0.78 | ALDH1A1 (0.56) | ADORA3ADORA2AADORA2BADORA1TP53 | |
| SCHEMBL16201474 | 0.78 | KMT2A (0.77) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL23063828 | 0.75 | ALDH1A1 (0.65) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 |
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 |