Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 6/20 | 0.54 |
| ▸ | MAOB | P27338 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | SORD | Q00796 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22013645 | 0.82 | MAP4K4 (0.55) | MAP4K4MAOBPKMALOX15CASP1 | |
| SCHEMBL22013643 | 0.81 | MAP4K4 (0.61) | MAP4K4CXCR4 | |
| SCHEMBL23836983 | 0.81 | MAP4K4 (0.54) | MAP4K4CYP1A2HSD17B10CNR2ALDH1A1 | |
| SCHEMBL23837028 | 0.80 | MAP4K4 (0.47) | MAP4K4 | |
| SCHEMBL22013614 | 0.80 | MAP4K4 (0.47) | MAP4K4 | |
| SCHEMBL23837030 | 0.77 | MAP4K4 (0.50) | MAP4K4 | |
| SCHEMBL23837044 | 0.77 | MAP4K4 (0.50) | MAP4K4CXCR4 | |
| SCHEMBL22013653 | 0.75 | MAP4K4 (0.51) | MAP4K4 | |
| SCHEMBL22014120 | 0.72 | MAP4K4 (0.45) | MAP4K4PKMALDH1A1 | |
| SCHEMBL22013250 | 0.72 | MAP4K4 (0.45) | MAP4K4CXCR4SORD |
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-2020098723-A1 | SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR | 上海轶诺药业有限公司 | 2020-05-22 | — | — | WO | disclosed |