Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 13/20 | 0.52 |
| ▸ | CTSS | P25774 | 13/20 | 0.52 |
| ▸ | CTSL | P07711 | 4/20 | 0.50 |
| ▸ | CTSB | P07858 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17282840 | 0.84 | CYP2D6 (0.48) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL15627223 | 0.84 | CYP2D6 (0.48) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL28631346 | 0.84 | CYP2D6 (0.48) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL15629776 | 0.84 | CTSK (0.61) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL4118840 | 0.81 | CTSK (0.56) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL86153 | 0.81 | CTSK (0.56) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL86185 | 0.81 | CTSK (0.56) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL31606449 | 0.80 | CYP2D6 (0.53) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL13538162 | 0.80 | CYP2D6 (0.53) | CTSKCTSSCTSLCTSBCYP2D6 | |
| SCHEMBL3380313 | 0.80 | CYP2D6 (0.53) | CTSKCTSSCTSLCTSBCYP2D6 |
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-0910572-B1 | INHIBITORS OF PICORNAVIRUS 3C PROTEASES AND METHODS FOR THEIR USE AND PREPARATION | AGOURON PHARMA (US) | 2005-04-27 | — | — | EP | disclosed |
| EP-0910572-A1 | INHIBITORS OF PICORNAVIRUS 3C PROTEASES AND METHODS FOR THEIR USE AND PREPARATION | AGOURON PHARMACEUTICALS, INC. (US) | 1999-04-28 | — | — | EP | disclosed |
| US-5856530-A | Antipicornaviral compounds and methods for their use and preparation | AGOURON PHARMACEUTICALS, INC. (US) | 1999-01-05 | — | — | US | disclosed |
| WO-1997043305-A1 | INHIBITORS OF PICORNAVIRUS 3C PROTEASES AND METHODS FOR THEIR USE AND PREPARATION | AGOURON PHARMACEUTICALS, INC. (US) | 1997-11-20 | — | — | WO | disclosed |