Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | CSK | P41240 | 1/20 | 0.31 |
| ▸ | ABL2 | P42684 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.30 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14532 | 0.94 | PARP1 (0.32) | PARP1F2F10PRSS1 | |
| SCHEMBL17946565 | 0.83 | P2RX7 (0.33) | — | |
| SCHEMBL17277314 | 0.82 | PARP1 (0.32) | PARP1F2F10PRSS1PARP2 | |
| SCHEMBL13954 | 0.82 | MC4R (0.39) | PARP1ABL1EGFRCDK1SRC | |
| SCHEMBL17947197 | 0.81 | ALDH1A1 (0.36) | PARP1ABL1EGFRCDK1SRC | |
| SCHEMBL12075788 | 0.80 | HDAC1 (0.31) | PARP1F2F10PRSS1 | |
| SCHEMBL21367598 | 0.79 | PARP1 (0.38) | PARP1PARP2PARP3 | |
| SCHEMBL17946377 | 0.79 | ROCK1 (0.38) | PARP1CDK1PARP2PARP3 | |
| SCHEMBL12061518 | 0.79 | — | — | |
| SCHEMBL17947190 | 0.78 | P2RX7 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2488525-B1 | ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | MELINTA THERAPEUTICS INC (US) | 2018-04-25 | — | — | EP | disclosed |