Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.47 |
| ▸ | RELA | Q04206 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| SCHEMBL17402668 | 0.98 | NPC1 (0.49) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL18859342 | 0.97 | CYP11B1 (0.45) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL15498051 | 0.90 | CYP11B1 (0.48) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL787234 | 0.89 | CYP11B1 (0.49) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL15421297 | 0.88 | CYP11B1 (0.50) | RAB9AALDH1A1CYP11B1L3MBTL1LDHA | |
| SCHEMBL17402612 | 0.84 | CYP2A6 (0.39) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL17465478 | 0.84 | CYP11B1 (0.45) | ALDH1A1CYP11B1L3MBTL1LDHAHPGDS | |
| SCHEMBL15046367 | 0.83 | ALDH1A1 (0.39) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL15907007 | 0.83 | ALDH1A1 (0.68) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL17165567 | 0.83 | ALDH1A1 (0.68) | NPC1RAB9ANFKB1NFKB2RELA |
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-2018012780-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT | 덕산네오룩스 주식회사 | 2018-01-18 | — | — | WO | disclosed |