Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28052779 | 1.00 | CYP2D6 (0.32) | CYP2D6CA1CA2CA7NOS1 | |
| SCHEMBL27891039 | 1.00 | CYP2D6 (0.32) | CYP2D6CA1CA2CA7NOS1 | |
| SCHEMBL2351263 | 0.80 | PGD (0.35) | CYP2D6CA1CA2CA7NOS1 | |
| SCHEMBL2705280 | 0.80 | PGD (0.35) | CYP2D6CA1CA2CA7NOS1 | |
| SCHEMBL7181932 | 0.80 | PGD (0.35) | CYP2D6CA1CA2CA7NOS1 | |
| SCHEMBL13007214 | 0.78 | TDP1 (0.44) | CYP2D6CA1CA2CA7NOS1 | |
| SCHEMBL12526882 | 0.76 | CYP2D6 (0.46) | CYP2D6CA1CA2CA7NOS1 | |
| SCHEMBL10703266 | 0.76 | CYP2D6 (0.46) | CYP2D6CA1CA2CA7NOS1 | |
| SCHEMBL27771724 | 0.74 | MEN1 (0.34) | CYP2D6CA1CA2CA7MEN1 | |
| SCHEMBL27739750 | 0.74 | MEN1 (0.34) | CYP2D6CA1CA2CA7MEN1 |
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-103282360-B | CXCR4 receptor antagonist | PROXIMAGEN LTD. (GB) | 2016-03-30 | — | — | CN | disclosed |