Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 1.00 |
| ▸ | HTR2A | P28223 | 2/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 11/20 | 0.62 |
| ▸ | HTR1A | P08908 | 3/20 | 0.62 |
| ▸ | DRD2 | P14416 | 3/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL19900842 | 1.00 | CYP2D6 (1.00) | CYP2D6HTR2AABCB1HTR1ADRD2 | |
| SCHEMBL19900950 | 1.00 | CYP2D6 (1.00) | CYP2D6HTR2AABCB1HTR1ADRD2 | |
| SCHEMBL30001867 | 1.00 | CYP2D6 (1.00) | CYP2D6HTR2AABCB1HTR1ADRD2 | |
| SCHEMBL19350963 | 1.00 | CYP2D6 (1.00) | CYP2D6HTR2AABCB1HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL10802067 | 0.99 | CYP2D6 (0.98) | CYP2D6HTR2AABCB1HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL30416719 | 0.99 | CYP2D6 (0.98) | CYP2D6HTR2AABCB1HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL30387812 | 0.99 | CYP2D6 (0.98) | CYP2D6HTR2AABCB1HTR1ADRD2 | |
| SCHEMBL8704285 | 0.93 | CYP2D6 (0.88) | CYP2D6HTR2AABCB1HTR1ADRD2 | |
| Phosphoric Acid SCHEMBL20552775 | 0.93 | CYP2D6 (0.86) | CYP2D6HTR2AABCB1HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL8707201 | 0.92 | CYP2D6 (0.86) | CYP2D6HTR2AABCB1HTR1ADRD2 |
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-110831584-B | Targeted drug rescue with novel compositions, combinations and methods thereof | 埃克塞瓦有限责任公司 | 2023-03-10 | — | — | CN | disclosed |