Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.43 |
| ▸ | SCD | O00767 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GNRHR | P30968 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CD38 | P28907 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL28847349 | 0.90 | KDM4E (0.49) | PARP1KDM4EALDH1A1NPSR1ATM | |
| SCHEMBL28321312 | 0.88 | KDM4E (0.46) | PARP1KDM4EALDH1A1NPSR1ATM | |
| SCHEMBL20357333 | 0.85 | CHRM3 (0.51) | PARP1KDM4EALDH1A1NPSR1ATM | |
| SCHEMBL2679792 | 0.85 | PARP1 (0.48) | PARP1KDM4EALDH1A1PARP2MEN1 | |
| SCHEMBL29286662 | 0.79 | CD38 (0.46) | PARP1GAACYP3A4CD38KCNH2 | |
| SCHEMBL28262408 | 0.78 | KDM4E (0.50) | KDM4EALDH1A1NPSR1ATMTDP1 | |
| Hydrochloric Acid SCHEMBL4589099 | 0.78 | CD38 (0.45) | PARP1GAACYP3A4CD38KCNH2 | |
| SCHEMBL28243997 | 0.76 | CD38 (0.44) | PARP1KDM4EALDH1A1GAAP2RX7 | |
| SCHEMBL28222514 | 0.75 | RET (0.47) | PARP1ATMKMT2AKITCYP3A4 | |
| SCHEMBL28204448 | 0.72 | PARP1 (0.50) | PARP1GAAPARP2CYP3A4CD38 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105008355-B | Azaindole derivatives as protein kinase inhibitors | 奥里巴斯医药公司 | 2017-08-04 | — | — | CN | disclosed |
| EP-1981870-A2 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007092531-A2 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2007-08-16 | — | — | WO | disclosed |