Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.41 |
| ▸ | PPARG | P37231 | 7/20 | 0.41 |
| ▸ | PPARD | Q03181 | 7/20 | 0.41 |
| ▸ | PPARA | Q07869 | 7/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | TLR2 | O60603 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27918817 | 0.87 | KMT2A (0.52) | ALDH1A1KMT2AMEN1CYP1A2THRB | |
| SCHEMBL28136018 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KMT2AMEN1CYP1A2THRB | |
| SCHEMBL2147218 | 0.83 | GPR84 (0.56) | ALDH1A1KMT2AMEN1AKR1B1GPR84 | |
| SCHEMBL28738124 | 0.83 | GPR84 (0.56) | ALDH1A1KMT2AMEN1AKR1B1GPR84 | |
| SCHEMBL29132419 | 0.83 | GPR84 (0.56) | ALDH1A1KMT2AMEN1AKR1B1GPR84 | |
| SCHEMBL7385936 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KMT2AMEN1CYP1A2THRB | |
| SCHEMBL9005565 | 0.77 | ALDH1A1 (0.73) | ALDH1A1KMT2AMEN1CYP1A2THRB | |
| SCHEMBL1399007 | 0.77 | ALDH1A1 (0.73) | ALDH1A1KMT2AMEN1CYP1A2THRB | |
| SCHEMBL20692400 | 0.76 | GABRP (0.45) | ALDH1A1KMT2AMEN1CYP1A2THRB | |
| SCHEMBL27801321 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261611-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-12-04 | — | — | EP | disclosed |
| EP-1196436-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001064678-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-07 | — | — | WO | disclosed |
| WO-2001002424-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-01-11 | — | — | WO | disclosed |