Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 10/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL19617925 | 0.81 | CA1 (0.49) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL28409785 | 0.80 | CYP2D6 (0.47) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL27668563 | 0.80 | CA1 (0.45) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL27593364 | 0.80 | CA1 (0.45) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL12660783 | 0.80 | CA1 (0.53) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL6206893 | 0.80 | CA1 (0.45) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL7974788 | 0.79 | CA1 (0.44) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL17596471 | 0.77 | CA1 (0.42) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL6523585 | 0.77 | CA2 (0.53) | CA2CA1CA7CTSKCYP2D6 | |
| SCHEMBL19136369 | 0.77 | CA2 (0.53) | CA2CA1CA7CTSKCYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1440400-A | Bicyelyl or heterobicyclylmethanesulfonylamino-substituted N-hydroxyformamides | SMITHKLINE BEECHAMP P L C (GB) | 2003-09-03 | — | — | CN | disclosed |