Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28047862 | 1.00 | CYP2D6 (0.58) | CYP2D6ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL28047817 | 0.99 | CYP2D6 (0.57) | CYP2D6ADRB2ADRB1ADRB3 | |
| SCHEMBL27584406 | 0.88 | CYP2D6 (0.61) | CYP2D6ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL28047728 | 0.84 | — | — | |
| SCHEMBL27982705 | 0.80 | TP53 (0.62) | — | |
| Hydrochloric Acid SCHEMBL28047706 | 0.79 | TP53 (0.61) | — | |
| Hydrochloric Acid SCHEMBL28047861 | 0.76 | CYP2D6 (0.55) | CYP2D6ADRB2ADRB1ADRB3 | |
| SCHEMBL9410194 | 0.76 | MEN1 (0.67) | CYP2D6ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL9410196 | 0.75 | MEN1 (0.65) | CYP2D6ADRB2ADRB1ADRB3 | |
| SCHEMBL21793225 | 0.74 | ADRB2 (0.74) | CYP2D6ADRB2ADRB1ADRB3 |
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-105189446-A | Phloroglucinol derivatives and application thereof in treatment of neurodegenerative disorder | INST MATERIA MEDICA CAMS | 2015-12-23 | — | — | CN | disclosed |