Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL19423930 | 0.76 | TSHR (0.42) | NAMPT | |
| SCHEMBL22838529 | 0.76 | TSHR (0.42) | HTR2AHTR2C | |
| SCHEMBL26267083 | 0.75 | NAMPT (0.39) | NAMPT | |
| SCHEMBL13554592 | 0.72 | ALDH1A1 (0.41) | HTR2CNAMPT | |
| SCHEMBL13913266 | 0.72 | GABRA1 (0.39) | HTR2AHTR2C | |
| SCHEMBL20783232 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL22627564 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL29793781 | 0.70 | CYP1A2 (0.39) | — | |
| SCHEMBL15897690 | 0.70 | KDM4E (0.37) | HTR2AHTR2C | |
| SCHEMBL27170967 | 0.70 | CYP1A2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9982005-B2 | Macrolides and methods of their preparation and use | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-05-29 | — | — | US | disclosed |