Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.43 |
| ▸ | CPA3 | P15088 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 5/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7531134 | 0.89 | LTA4H (0.45) | CYP1A2ALDH1A1CYP2D6TSHRCYP2C19 | |
| SCHEMBL4170593 | 0.81 | KMT2A (0.45) | CYP2C19FFAR1CPA3LTA4HALOX15 | |
| SCHEMBL26135411 | 0.79 | FFAR1 (0.44) | CYP1A2ALDH1A1CYP2D6TSHRCYP2C19 | |
| Acetic Acid SCHEMBL7350375 | 0.79 | PPARG (0.45) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL5674229 | 0.79 | ALDH1A1 (0.43) | ALDH1A1LTA4HSLC1A3MTNR1AMTNR1B | |
| SCHEMBL5080194 | 0.78 | CXCL8 (0.45) | CYP1A2ALDH1A1CYP2D6TSHRCYP2C19 | |
| SCHEMBL11502513 | 0.78 | MTNR1A (0.56) | CYP1A2ALDH1A1CYP2D6TSHRCYP2C19 | |
| SCHEMBL5509034 | 0.78 | PPARG (0.56) | — | |
| SCHEMBL28085523 | 0.76 | HRH1 (0.46) | ALDH1A1LTA4H | |
| SCHEMBL23754113 | 0.75 | FFAR1 (0.48) | CYP1A2ALDH1A1CYP2D6TSHRCYP2C19 |
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-1196436-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001002424-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-01-11 | — | — | WO | disclosed |