Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | FAP | Q12884 | 1/20 | 0.30 |
| ▸ | PITRM1 | Q5JRX3 | 1/20 | 0.30 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.30 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.30 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CETP | P11597 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5415303 | 0.98 | TSHR (0.32) | TSHRNFKB1CYP2C19MMECYP2C9 | |
| SCHEMBL18771632 | 0.98 | TSHR (0.34) | TSHRNFKB1CYP2C19MMEFFAR3 | |
| SCHEMBL18789723 | 0.83 | SMN1; SMN2 (0.35) | TSHRCYP2C9MAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14899073 | 0.83 | SMN1; SMN2 (0.35) | TSHRCYP2C9MAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8279345 | 0.82 | CETP (0.33) | TSHRNFKB1CYP2C19MMECYP2C9 | |
| SCHEMBL14827615 | 0.79 | TSHR (0.34) | TSHRNFKB1CYP2C19MMECYP2C9 | |
| SCHEMBL583878 | 0.73 | CTSK (0.39) | MEN1KMT2A | |
| SCHEMBL1492103 | 0.73 | CTSK (0.39) | MEN1KMT2A | |
| SCHEMBL583877 | 0.73 | CTSK (0.39) | MEN1KMT2A | |
| SCHEMBL8670866 | 0.73 | CYP2C19 (0.38) | TSHRNFKB1CYP2C19MMESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005087721-A2 | COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-09-22 | — | — | WO | disclosed |
| WO-2005085242-A1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-09-15 | — | — | WO | disclosed |