Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16787350 | 0.87 | CYP1A2 (0.41) | ALOX5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23024872 | 0.83 | AHR (0.48) | — | |
| SCHEMBL19262250 | 0.82 | AHR (0.34) | — | |
| SCHEMBL12490399 | 0.80 | PLA2G2A (0.34) | — | |
| SCHEMBL16863586 | 0.80 | AHR (0.54) | ALOX5TAAR1ESR2NPC1TP53 | |
| SCHEMBL21305060 | 0.79 | BCHE (0.36) | MAP4K4 | |
| SCHEMBL12489685 | 0.78 | PLA2G2A (0.35) | MAP4K4 | |
| SCHEMBL16787291 | 0.77 | CA12 (0.34) | ALOX5PGR | |
| SCHEMBL12488555 | 0.77 | PLA2G2A (0.35) | MAP4K4 | |
| SCHEMBL18961039 | 0.76 | PLA2G2A (0.31) | — |
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-2021060723-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2021-04-01 | — | — | WO | disclosed |