Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | ARG1 | P05089 | 2/20 | 0.33 |
| ▸ | ARG2 | P78540 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | GGT1 | P19440 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 2/20 | 0.31 |
| ▸ | GABRD | O14764 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28936397 | 0.81 | CHRM1 (0.41) | CYP1A2MEN1ALDH1A1THRBKMT2A | |
| SCHEMBL11723613 | 0.81 | GRM2 (0.34) | CYP1A2MEN1ALDH1A1THRBKMT2A | |
| SCHEMBL2163518 | 0.80 | CYP1A2 (0.40) | CYP1A2MEN1ALDH1A1THRBKMT2A | |
| SCHEMBL8768546 | 0.80 | CYP1A2 (0.33) | CYP1A2MEN1ALDH1A1THRBKMT2A | |
| SCHEMBL9829183 | 0.80 | CYP1A2 (0.40) | CYP1A2MEN1ALDH1A1THRBKMT2A | |
| SCHEMBL31148325 | 0.80 | ARG1 (0.37) | CYP1A2MEN1ALDH1A1THRBKMT2A | |
| SCHEMBL9829180 | 0.80 | CYP1A2 (0.40) | CYP1A2MEN1ALDH1A1THRBKMT2A | |
| SCHEMBL162434 | 0.78 | ALDH1A1 (0.34) | CYP1A2MEN1ALDH1A1THRBKMT2A | |
| SCHEMBL22636108 | 0.78 | ALDH1A1 (0.34) | CYP1A2MEN1ALDH1A1THRBKMT2A | |
| SCHEMBL20854287 | 0.78 | ALDH1A1 (0.34) | CYP1A2MEN1ALDH1A1THRBKMT2A |
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 6 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-1252178-A1 | ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-10-30 | — | — | 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-2001040262-A1 | ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-06-07 | — | — | WO | disclosed |
| WO-2001002424-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-01-11 | — | — | WO | disclosed |