Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 10/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CAPN1 | P07384 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27761910 | 1.00 | CA1 (0.45) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL6384774 | 0.91 | CA1 (0.47) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL5033253 | 0.88 | CYP2D6 (0.49) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL5353383 | 0.82 | CYP1A2 (0.49) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL27490793 | 0.81 | MEN1 (0.45) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL7804302 | 0.78 | TDP1 (0.50) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL628885 | 0.78 | CTSK (0.57) | CTSKCTSS | |
| SCHEMBL15613941 | 0.77 | MEN1 (0.55) | CA1CA2CA7CYP2D6LMNA | |
| SCHEMBL15015920 | 0.77 | MEN1 (0.44) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL2239345 | 0.76 | CTSK (0.52) | CTSKCTSS |
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 |
|---|---|---|---|---|---|---|---|
| CN-101568336-B | Use of macrocyclic peptides for the preparation of hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2012-07-04 | — | — | CN | disclosed |
| CN-101568543-B | Macrocyclic peptides as hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2012-06-06 | — | — | CN | disclosed |
| CN-101568543-A | Macrocyclic peptides as hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-10-28 | — | — | CN | disclosed |
| CN-101568336-A | Macrocyclic peptides as hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-10-28 | — | — | CN | disclosed |