Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.46 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL6677946 | 0.88 | BCAT2 (0.49) | PARP1SCN9AALDH1A1HPGDSLC9A1 | |
| SCHEMBL29978674 | 0.88 | BCAT2 (0.49) | PARP1SCN9AALDH1A1HPGDSLC9A1 | |
| SCHEMBL7878426 | 0.86 | MAOB (0.42) | PARP1SCN9AALDH1A1HPGDSLC9A1 | |
| SCHEMBL5143960 | 0.81 | PARP1 (0.56) | PARP1SCN9AALDH1A1HPGDSLC9A1 | |
| SCHEMBL30608075 | 0.81 | PARP1 (0.56) | PARP1SCN9AALDH1A1HPGDSLC9A1 | |
| SCHEMBL4776527 | 0.80 | PARP1 (0.54) | PARP1SCN9AALDH1A1HPGDSLC9A1 | |
| SCHEMBL29733181 | 0.80 | PARP1 (0.58) | PARP1SCN9AALDH1A1HPGDSLC9A1 | |
| SCHEMBL4095197 | 0.79 | PTGS1 (0.39) | PARP1SCN9AALDH1A1HPGDSLC9A1 | |
| SCHEMBL3716117 | 0.79 | CA12 (0.43) | PARP1SCN9AALDH1A1HPGDSLC9A1 | |
| SCHEMBL3708513 | 0.79 | CES2 (0.48) | PARP1SCN9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2375904-A1 | BIARYL CARBOXAMIDES | Merck Sharp & Dohme Corp. (US) | 2011-10-19 | — | — | EP | claimed |
| WO-2010077624-A1 | BIARYL CARBOXAMIDES | MERCK SHARP & DOHME CORP. (US) | 2010-07-08 | — | — | WO | claimed |