Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7424186 | 0.79 | PDCD1 (0.46) | BACE1ESR2NUDT1KMT2AMETAP2 | |
| SCHEMBL28856459 | 0.77 | ALDH1A1 (0.58) | BACE1AHRALDH1A1TSHRALOX15 | |
| SCHEMBL1494319 | 0.76 | SELL (0.52) | AHRALDH1A1BCL2L1TRPA1LMNA | |
| SCHEMBL5069431 | 0.76 | ALDH1A1 (0.56) | BACE1AHRALDH1A1ESR2ALOX5 | |
| SCHEMBL29105462 | 0.75 | BACE1 (0.52) | BACE1AHRALDH1A1ESR2ALOX5 | |
| SCHEMBL9496481 | 0.75 | BACE1 (0.52) | BACE1AHRALDH1A1ESR2ALOX5 | |
| SCHEMBL9747112 | 0.75 | AHR (0.58) | BACE1AHRALDH1A1ALOX15ESR2 | |
| SCHEMBL2528210 | 0.74 | BACE1 (0.54) | BACE1ALDH1A1TSHRMAPK1ALOX15 | |
| SCHEMBL27864186 | 0.74 | SELL (0.50) | AHRALDH1A1BCL2L1TRPA1LMNA | |
| SCHEMBL16499791 | 0.74 | PDE4B (0.57) | BACE1AHRALDH1A1TSHRMAPK1 |
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-2002022584-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |