Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 12/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | GPR6 | P46095 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23374970 | 0.83 | CCR5 (0.42) | CCR5KCNH2P2RX7DPP4DPP8 | |
| SCHEMBL23374968 | 0.82 | P2RX7 (0.37) | CCR5KCNH2P2RX7DPP4DPP8 | |
| SCHEMBL8277482 | 0.72 | PDCD1 (0.38) | P2RX7 | |
| SCHEMBL16219043 | 0.71 | DPP4 (0.49) | DPP4DPP8DPP7DPP9 | |
| SCHEMBL16219073 | 0.71 | GRM5 (0.42) | CCR5DPP4DPP8DPP7DPP9 | |
| SCHEMBL16219076 | 0.71 | JAK2 (0.41) | KCNH2DPP4DPP8GPR6 | |
| SCHEMBL23374967 | 0.71 | DPP4 (0.30) | DPP4DPP8DPP7DPP9 | |
| SCHEMBL23374979 | 0.71 | PDCD1 (0.48) | DPP4DPP8DPP7DPP9CNR2 | |
| SCHEMBL16219049 | 0.71 | CREBBP (0.42) | — | |
| SCHEMBL21620980 | 0.69 | — | — |
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-3091013-B1 | 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2018-08-08 | — | — | EP | disclosed |