Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR2 | O60603 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.45 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.45 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5073464 | 0.85 | ALDH1A1 (0.33) | ADRA2AADRA2BADRA2CALDH1A1TSHR | |
| SCHEMBL31282555 | 0.84 | ALDH1A1 (0.50) | TLR2ERN1TLR1TLR6ADRA2A | |
| SCHEMBL4599831 | 0.84 | ALDH1A1 (0.50) | TLR2ERN1TLR1TLR6ADRA2A | |
| SCHEMBL1753794 | 0.84 | CA1 (0.50) | TLR2ERN1TLR1TLR6ADRA2A | |
| SCHEMBL1754368 | 0.81 | SRC (0.54) | TLR2ERN1TLR1TLR6ADRA2A | |
| SCHEMBL22083878 | 0.79 | ALDH1A1 (0.33) | ADRA2AADRA2BADRA2CALDH1A1CYP1A2 | |
| SCHEMBL6468006 | 0.76 | ERN1 (0.55) | TLR2ERN1TLR1TLR6ALDH1A1 | |
| SCHEMBL738533 | 0.76 | ERN1 (0.66) | TLR2ERN1TLR1TLR6ALDH1A1 | |
| SCHEMBL29954368 | 0.76 | ERN1 (0.66) | TLR2ERN1TLR1TLR6ALDH1A1 | |
| SCHEMBL16456192 | 0.75 | TLR2 (0.44) | TLR2ERN1TLR1TLR6ALDH1A1 |
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-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | disclosed |