Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 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 | |
|---|---|---|---|---|
| SCHEMBL14339825 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPK1HTR2CNPC1RAB9A | |
| SCHEMBL18490803 | 0.77 | ALDH1A1 (0.34) | ALDH1A1MAPK1HTR2CSIGMAR1 | |
| SCHEMBL1042357 | 0.76 | HTR2C (0.56) | ALDH1A1MAPK1HTR2CSIGMAR1HPGD | |
| SCHEMBL18562482 | 0.76 | MAPT (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL24054446 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPK1HTR2CNPC1RAB9A | |
| SCHEMBL10830517 | 0.75 | TSHR (0.39) | ALDH1A1MAPK1NPC1RAB9ANFKB1 | |
| SCHEMBL15468624 | 0.73 | MEN1 (0.37) | ALDH1A1ADORA2AADORA1HPGD | |
| SCHEMBL12993025 | 0.73 | HSD17B10 (0.34) | ALDH1A1HTR2CTDP1SIGMAR1ADORA2A | |
| SCHEMBL25558991 | 0.71 | MEN1 (0.36) | ALDH1A1TDP1ADORA2AADORA1HPGD | |
| SCHEMBL22186204 | 0.71 | HTR7 (0.32) | — |
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-2022250244-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2022-12-01 | — | — | WO | disclosed |