Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4779160 | 0.88 | PARP1 (0.60) | PARP1SLC6A3PARP2KMT2AKDM4E | |
| SCHEMBL7039533 | 0.84 | PARP1 (0.60) | PARP1PARP2ALDH1A1 | |
| SCHEMBL7042977 | 0.83 | PARP1 (0.78) | PARP1PARP2KMT2A | |
| SCHEMBL7044629 | 0.78 | PARP1 (0.46) | PARP1SLC6A3KMT2AKDM4EGAA | |
| SCHEMBL4779209 | 0.78 | PARP1 (0.71) | PARP1SLC6A3PARP2KMT2AKDM4E | |
| SCHEMBL21638317 | 0.77 | KDM4E (0.55) | PARP1KMT2AKDM4EGAAATM | |
| SCHEMBL7045177 | 0.75 | PARP1 (1.00) | PARP1PARP2KMT2AMAPTMEN1 | |
| SCHEMBL71209 | 0.74 | KDM4E (0.74) | KMT2AKDM4EGAAATMMAPT | |
| SCHEMBL31353202 | 0.73 | PARP1 (0.59) | PARP1PARP2KMT2AMEN1NPC1 | |
| SCHEMBL1034874 | 0.73 | PARP1 (0.62) | PARP1PARP2KMT2AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003007959-A1 | QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-01-30 | — | — | WO | disclosed |