Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 5/20 | 0.37 |
| ▸ | ITGAV | P06756 | 5/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.37 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.37 |
| ▸ | ITGB6 | P18564 | 3/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 10/20 | 0.37 |
| ▸ | MC5R | P33032 | 10/20 | 0.37 |
| ▸ | MC3R | P41968 | 10/20 | 0.37 |
| ▸ | MC1R | Q01726 | 10/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.36 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | PRKACG | P22612 | 1/20 | 0.34 |
| ▸ | PRKACB | P22694 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21524983 | 0.91 | ITGB3 (0.46) | ITGB3ITGAVITGA2BITGB5MC4R | |
| SCHEMBL24271699 | 0.90 | MC4R (0.38) | ITGB3ITGAVITGB5MC4RMC5R | |
| SCHEMBL23966178 | 0.86 | MC4R (0.40) | ITGB3ITGAVITGA2BITGB5MC4R | |
| SCHEMBL21348134 | 0.84 | ITGB3 (0.44) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL19939614 | 0.84 | ITGB3 (0.44) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL24271698 | 0.82 | ITGB3 (0.44) | ITGB3ITGAVITGA2BITGB5ITGB1 | |
| SCHEMBL26220061 | 0.81 | ITGB3 (0.47) | ITGB3ITGAVITGA2BITGB5MC4R | |
| SCHEMBL16508329 | 0.80 | ITGB3 (0.46) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL19102258 | 0.80 | ITGB3 (0.46) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL19940184 | 0.79 | ITGB3 (0.41) | ITGB3ITGAVITGA2BITGB5ITGB6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018041985-A1 | CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES | FORSCHUNGSVERBUND BERLIN E.V. (DE) | 2018-03-08 | — | — | WO | disclosed |