Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 5/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | OXTR | P30559 | 2/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7394076 | 0.88 | KEAP1 (0.39) | KEAP1NFE2L2MAPTTP53LMNA | |
| SCHEMBL7389804 | 0.85 | HCRTR2 (0.41) | KEAP1NFE2L2HCRTR2MAPTTP53 | |
| SCHEMBL7392529 | 0.78 | TSHR (0.40) | MAPTTP53HTTALDH1A1GAA | |
| SCHEMBL7389790 | 0.78 | CHEK1 (0.37) | HCRTR2MAPTLMNASMN1; SMN2MEN1 | |
| SCHEMBL7396522 | 0.76 | F2 (0.41) | KEAP1NFE2L2MAPTLMNAMEN1 | |
| SCHEMBL7395399 | 0.74 | KLK1 (0.44) | KEAP1NFE2L2MAPTTP53LMNA | |
| SCHEMBL6634546 | 0.74 | F2 (0.47) | HCRTR2MAPTTP53LMNAHTT | |
| SCHEMBL6635937 | 0.72 | PPARG (0.47) | HCRTR2 | |
| SCHEMBL7388035 | 0.72 | TSHR (0.38) | MAPTTP53HTTALDH1A1GAA | |
| SCHEMBL7394949 | 0.71 | ALDH1A1 (0.43) | MAPTLMNAMEN1KMT2AALDH1A1 |
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-1100795-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000008014-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-02-17 | — | — | WO | disclosed |