Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL16229373 | 1.00 | ALDH1A1 (0.71) | ALDH1A1MAPK1NPC1NFKB1RAB9A | |
| SCHEMBL3692372 | 0.87 | HTR2A (0.60) | ALDH1A1MAPK1SMN1; SMN2HTR2ATDP1 | |
| SCHEMBL13865458 | 0.87 | HTR2A (0.60) | ALDH1A1MAPK1SMN1; SMN2HTR2ATDP1 | |
| SCHEMBL2838545 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MAPK1TDP1CHRNB2CHRNA4 | |
| SCHEMBL23527429 | 0.85 | CHRNB2 (0.58) | ALDH1A1MAPK1HTR2ATDP1CHRNB2 | |
| SCHEMBL366308 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPK1NPC1NFKB1RAB9A | |
| SCHEMBL12367607 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPK1NPC1NFKB1RAB9A | |
| SCHEMBL17277082 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPK1NPC1NFKB1RAB9A | |
| SCHEMBL25374262 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPK1NPC1NFKB1RAB9A | |
| SCHEMBL18270367 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPK1NPC1NFKB1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9837617-B2 | Materials for electronic devices | MERCK PATENT GMBH (DE) | 2017-12-05 | — | — | US | disclosed |
| US-9837617-B2 | Materials for electronic devices | MERCK PATENT GMBH (DE) | 2017-12-05 | — | — | US | disclosed |