Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 14/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 7/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11018592 | 1.00 | CA1 (0.46) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6404300 | 0.85 | CTSK (0.51) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL19617925 | 0.85 | CA1 (0.49) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6122836 | 0.82 | CTSK (0.56) | CTSKCTSS | |
| SCHEMBL28136413 | 0.82 | CTSK (0.56) | CTSKCTSS | |
| SCHEMBL7306232 | 0.82 | CA1 (0.44) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL19136288 | 0.81 | CTSK (0.49) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL3063224 | 0.80 | CA1 (0.45) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6277041 | 0.80 | MEN1 (0.64) | CA1CA2CA7CTSKMEN1 | |
| SCHEMBL4634764 | 0.79 | CTSK (0.49) | CA1CA2CA7CTSKMEN1 |
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-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |