Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.44 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | HPSE | Q9Y251 | 2/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 4/20 | 0.37 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6591596 | 0.91 | PARP1 (0.48) | PARP1NR2E3MAP4K4MGAMGAA | |
| SCHEMBL6585150 | 0.83 | PARP1 (0.46) | PARP1NR2E3HPSEDHODHDGAT2 | |
| SCHEMBL6810606 | 0.81 | PARP1 (0.69) | PARP1MAP4K4DHODHPARP2 | |
| SCHEMBL6586796 | 0.81 | PKN1 (0.39) | PARP1NR2E3MAP4K4HPSEDHODH | |
| SCHEMBL7478464 | 0.79 | PARP1 (0.41) | PARP1MGAMGAASIMGAM2 | |
| SCHEMBL12834073 | 0.74 | AURKA (0.51) | MAP4K4HPSEMAPT | |
| SCHEMBL6587289 | 0.73 | PARP1 (0.49) | PARP1MAP4K4MGAMGAASI | |
| SCHEMBL6806394 | 0.73 | PARP1 (0.67) | PARP1MAP4K4DHODHPARP2 | |
| SCHEMBL6591702 | 0.71 | PARP1 (0.44) | PARP1MAP4K4MGAMGAASI | |
| SCHEMBL6590978 | 0.71 | PARP1 (0.42) | PARP1MGAMGAASIMGAM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1177178-A1 | HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-06 | — | — | EP | disclosed |
| WO-2001082877-A2 | USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-08 | — | — | WO | disclosed |
| WO-2000068206-A1 | HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-16 | — | — | WO | disclosed |