Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 3/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CBFB | Q13951 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6591702 | 0.92 | PARP1 (0.44) | PARP1NR3C2GAAMGAMSI | |
| SCHEMBL6807081 | 0.82 | PARP1 (0.64) | PARP1DHODH | |
| SCHEMBL7480353 | 0.79 | PARP1 (0.44) | PARP1GAAMGAMSIMGAM2 | |
| SCHEMBL6585205 | 0.73 | PARP1 (0.42) | PARP1GAAMGAMSIMGAM2 | |
| SCHEMBL7480214 | 0.72 | HPSE (0.38) | PARP1DHODHHPSESMN1; SMN2CBFB | |
| SCHEMBL6587560 | 0.71 | PARP1 (0.42) | PARP1GAAMGAMSIMGAM2 | |
| SCHEMBL6591596 | 0.70 | PARP1 (0.48) | PARP1GAAMGAMSIMGAM2 | |
| SCHEMBL6807085 | 0.70 | NR3C2 (0.43) | PARP1NR3C2MEN1KMT2AADORA2B | |
| SCHEMBL6587289 | 0.69 | PARP1 (0.49) | PARP1GAAMGAMSIMGAM2 | |
| SCHEMBL12662069 | 0.68 | DHODH (0.41) | PARP1NR3C2DHODHADORA2B |
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 |