Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.37 |
| ▸ | RELA | Q04206 | 2/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15937776 | 0.80 | ABCG2 (0.40) | RAB9AALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL20886295 | 0.77 | MEN1 (0.49) | MAPK1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL14675131 | 0.75 | AHR (0.39) | MAPK1ALDH1A1KMT2ASMN1; SMN2HPGD | |
| SCHEMBL15937787 | 0.74 | CYP1A2 (0.50) | MAPK1CYP1A2ALDH1A1MEN1KMT2A | |
| SCHEMBL31642820 | 0.73 | NPC1 (0.49) | MAPK1CYP1A2NR1H4RAB9AALDH1A1 | |
| SCHEMBL19637770 | 0.73 | CYP11B1 (0.54) | MAPK1CYP1A2NR1H4RAB9AALDH1A1 | |
| SCHEMBL30427162 | 0.73 | CYP11B1 (0.54) | MAPK1CYP1A2NR1H4RAB9AALDH1A1 | |
| SCHEMBL15394922 | 0.73 | NPC1 (0.56) | MAPK1CYP1A2NR1H4RAB9AALDH1A1 | |
| SCHEMBL31643003 | 0.73 | L3MBTL1 (0.45) | MAPK1NR1H4RAB9AALDH1A1MEN1 | |
| SCHEMBL2627622 | 0.72 | ALDH1A1 (0.67) | MAPK1CYP1A2NR1H4RAB9AALDH1A1 |
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-9780311-B2 | Compounds for electronic devices | MERCK PATENT GMBH (DE) | 2017-10-03 | — | — | US | disclosed |
| US-20140225040-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) | 2014-08-14 | — | — | US | disclosed |