Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MYC | P01106 | 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 | |
|---|---|---|---|---|
| SCHEMBL23937908 | 0.98 | ALOX5 (0.35) | ALOX5PTGS1PTGS2KDM4E | |
| SCHEMBL23937643 | 0.95 | KDM4E (0.34) | KDM4ERAB9ANPC1ALDH1A1KMT2A | |
| SCHEMBL14788205 | 0.74 | RAB9A (0.33) | ALOX5PTGS1PTGS2KDM4ERAB9A | |
| SCHEMBL20631138 | 0.74 | GRIA2 (0.35) | KDM4ERAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL20631115 | 0.72 | PTGS2 (0.35) | ALOX5PTGS1PTGS2KDM4EALDH1A1 | |
| SCHEMBL23937899 | 0.72 | HSD17B10 (0.33) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL25771697 | 0.71 | ALOX5 (0.32) | ALOX5PTGS1PTGS2KDM4E | |
| SCHEMBL20631141 | 0.71 | FABP4 (0.39) | KDM4EKMT2AHSD17B10 | |
| SCHEMBL20631114 | 0.71 | CNR2 (0.38) | KDM4ENPC1ALDH1A1HPGDKMT2A | |
| SCHEMBL23937917 | 0.71 | HSD17B10 (0.35) | KDM4EALDH1A1HPGDHSD17B10 |
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-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |