Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL10692772 | 1.00 | NAAA (0.50) | NAAAALDH1A1TSHRTP53CES2 | |
| SCHEMBL31396056 | 1.00 | NAAA (0.50) | NAAAALDH1A1TSHRTP53CES2 | |
| SCHEMBL10692605 | 0.86 | NAAA (0.61) | NAAAALDH1A1TSHRTP53CES2 | |
| SCHEMBL10692599 | 0.86 | NAAA (0.61) | NAAAALDH1A1TSHRTP53CES2 | |
| SCHEMBL8690677 | 0.86 | — | — | |
| SCHEMBL10689185 | 0.85 | NAAA (0.70) | NAAAALDH1A1TSHR | |
| SCHEMBL10689180 | 0.85 | NAAA (0.70) | NAAAALDH1A1TSHR | |
| SCHEMBL10691769 | 0.83 | NAAA (0.73) | NAAAALDH1A1TSHR | |
| SCHEMBL10690721 | 0.83 | NAAA (0.73) | NAAAALDH1A1TSHR | |
| SCHEMBL10688680 | 0.83 | NAAA (0.73) | NAAAALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4734522-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-03-29 | — | — | US | disclosed |