Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 9/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 9/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | NR2E1 | Q9Y466 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | HTR6 | P50406 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | SCN1A | P35498 | 2/20 | 0.43 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11211594 | 0.86 | ADRB2 (0.55) | ABCB1ALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL11210025 | 0.81 | MAPT (0.54) | ALDH1A1ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11206507 | 0.74 | ADRB2 (0.52) | ABCB1ALDH1A1ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL11593100 | 0.72 | ABCB1 (0.52) | ABCB1ALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL11218149 | 0.72 | ALDH1A1 (0.48) | ALDH1A1MAPK1SMN1; SMN2HTR1APKM | |
| SCHEMBL20049938 | 0.71 | CYP2D6 (0.69) | ABCB1ALDH1A1ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL11593223 | 0.70 | NPC1 (0.78) | ABCB1ADRB2ADRB1ADRB3CYP2D6 | |
| SCHEMBL11207230 | 0.69 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HTR1ALMNAHSD17B10 | |
| SCHEMBL20049934 | 0.68 | KMT2A (0.56) | ABCB1ALDH1A1ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL11594884 | 0.67 | NPC1 (0.55) | ABCB1ALDH1A1ADRB2ADRB1ADRB3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0095454-A2 | Nuclens-substituted pyrogallol derivatives | Gerot-Pharmazeutika Gesellschaft m.b.H. (AT) | 1983-11-30 | — | — | EP | disclosed |