Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL9770149 | 0.85 | BACE1 (0.67) | BACE1ADRB2ADRB1PTGS1SLC6A2 | |
| SCHEMBL9770395 | 0.84 | BACE1 (0.59) | BACE1PPARDADRB2ADRB1PTGS1 | |
| SCHEMBL9770570 | 0.83 | BACE1 (0.76) | BACE1PPARDADRB2ADRB1PTGS1 | |
| SCHEMBL9770438 | 0.83 | TSHR (0.59) | BACE1ADRB3TSHRMAPK1KDM4E | |
| SCHEMBL9770444 | 0.82 | BACE1 (0.64) | BACE1PPARDADRB2ADRB1PTGS1 | |
| SCHEMBL9770406 | 0.82 | BACE1 (0.60) | BACE1PPARDADRB2ADRB1PTGS1 | |
| SCHEMBL9770562 | 0.80 | BACE1 (0.67) | BACE1PPARDADRB2ADRB1PTGS1 | |
| SCHEMBL9770412 | 0.80 | BACE1 (0.67) | BACE1PPARDADRB2ADRB1PTGS1 | |
| SCHEMBL9770377 | 0.79 | BACE1 (0.67) | BACE1KDM4E | |
| SCHEMBL9770439 | 0.79 | BACE1 (0.60) | BACE1PPARDADRB2PTGS1SLC6A2 |
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-5071822-A | Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability | KAO CORPORATION (JP) | 1991-12-10 | — | — | US | disclosed |