Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.57 |
| ▸ | ELANE | P08246 | 2/20 | 0.56 |
| ▸ | CTSL | P07711 | 1/20 | 0.56 |
| ▸ | CTSS | P25774 | 1/20 | 0.56 |
| ▸ | CTSK | P43235 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 6/20 | 0.54 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5466039 | 0.90 | ELANE (0.51) | ATMELANECTSLCTSSCTSK | |
| SCHEMBL13168609 | 0.85 | CYP3A4 (0.57) | ATMCTSLCTSSCTSKCYP3A4 | |
| SCHEMBL13168588 | 0.85 | CYP3A4 (0.57) | ATMCTSLCTSSCTSKCYP3A4 | |
| SCHEMBL3331779 | 0.85 | ATM (0.55) | ATMCTSLCTSSCYP3A4TSHR | |
| SCHEMBL12067899 | 0.85 | CTRB1 (0.54) | ATMCTSLCTSSCYP3A4TSHR | |
| SCHEMBL12069802 | 0.85 | CTRB1 (0.54) | ATMCTSLCTSSCYP3A4TSHR | |
| SCHEMBL8530402 | 0.84 | ATM (0.68) | ATMELANECTSLCTSSCTSK | |
| SCHEMBL30460502 | 0.84 | ATM (0.68) | ATMELANECTSLCTSSCTSK | |
| SCHEMBL21469067 | 0.84 | ATM (0.68) | ATMELANECTSLCTSSCTSK | |
| SCHEMBL6349369 | 0.84 | ATM (0.54) | ATMCTSLCTSSCYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7449447-B2 | Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2008-11-11 | — | — | US | disclosed |
| WO-2005021584-A2 | NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-03-10 | — | — | WO | disclosed |