Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 12/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 9/20 | 0.39 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL15627223 | 0.84 | CYP2D6 (0.48) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL28631346 | 0.84 | CYP2D6 (0.48) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL17282840 | 0.84 | CYP2D6 (0.48) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL6973040 | 0.80 | CA1 (0.46) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL7854592 | 0.80 | CTSK (0.47) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL30993196 | 0.78 | CA1 (0.49) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL30993172 | 0.78 | CA1 (0.49) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL12635089 | 0.78 | CA1 (0.51) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL12635086 | 0.78 | CA1 (0.51) | CTSKCYP2D6CA1CA2CA7 | |
| SCHEMBL4348588 | 0.78 | CA1 (0.51) | CTSKCYP2D6CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3145944-B1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS INC (US) | 2021-05-05 | — | — | EP | disclosed |