Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | TNKS | O95271 | 3/20 | 0.43 |
| ▸ | STING1 | Q86WV6 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15840747 | 0.83 | PARP1 (0.68) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL527044 | 0.78 | PARP1 (0.65) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL215530 | 0.75 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29529679 | 0.75 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1387263 | 0.75 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28794202 | 0.74 | PARP1 (0.54) | PARP1KDM4ECYP1A2TNKS2TDP1 | |
| SCHEMBL6931033 | 0.72 | PARP1 (0.70) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15840543 | 0.72 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL526074 | 0.72 | PARP1 (0.70) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30900892 | 0.72 | PARP1 (0.70) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 |
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-103003250-B | As the bicyclic nitrogen heterocycles methane amide of kinases P70S6K inhibitor | MERCK PATENT GMBH (DE) | 2016-02-17 | — | — | CN | disclosed |
| CN-103003250-A | Bicyclic azaheterocyclic carboxamides as inhibitors of the kinase p70s6k | MERCK PATENT GMBH | 2013-03-27 | — | — | CN | disclosed |