Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10967299 | 0.76 | TSHR (0.43) | TSHRSLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL14667806 | 0.76 | TSHR (0.46) | TSHRSLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL1456871 | 0.75 | TSHR (0.44) | TSHRSLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL10965779 | 0.75 | TSHR (0.44) | TSHRSLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL10344292 | 0.73 | TSHR (0.52) | TSHRSLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL723193 | 0.73 | TSHR (0.57) | TSHRKMT2ACYP1A2CYP2C19IDO1 | |
| SCHEMBL8815544 | 0.72 | SLC1A3 (0.42) | TSHRSLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL8114209 | 0.72 | PPARG (0.42) | TSHRSLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL2861614 | 0.71 | KMT2A (0.62) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 | |
| SCHEMBL14998980 | 0.70 | TSHR (0.40) | TSHRSLC1A3SLC1A2SLC1A1KMT2A |
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-1206449-A1 | LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-05-22 | — | — | 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-2001007407-A1 | LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-02-01 | — | — | WO | disclosed |
| WO-2001002424-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-01-11 | — | — | WO | disclosed |