Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 8/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.53 |
| ▸ | HTR1A | P08908 | 3/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | GRK3 | P35626 | 1/20 | 0.49 |
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 | 0.84 | ADRB2 (0.55) | ADRB2ADRB1HTR1AADRA2AHTR2B | |
| SCHEMBL11207153 | 0.81 | ABCB1 (0.48) | ADRB2ADRB1HTR1AADRA2AHTR2B | |
| SCHEMBL11870445 | 0.77 | MAPT (0.78) | MAPTADRB2ADRB1HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL11870616 | 0.76 | MAPT (0.81) | MAPTADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL11202901 | 0.75 | CYP2D6 (0.44) | MAPTADRB2ADRB1HTR1AHTR2B | |
| SCHEMBL11241567 | 0.75 | MAPT (0.61) | MAPTADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL11218149 | 0.74 | ALDH1A1 (0.48) | HTR1AALOX15KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL11821997 | 0.74 | MAPT (0.64) | MAPTADRB2ADRB1HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL11085988 | 0.74 | MAPT (0.64) | MAPTADRB2ADRB1HTR1AADRA2A | |
| Xibenolol SCHEMBL29387811 | 0.73 | CYP2D6 (0.70) | MAPTADRB2ADRB1HTR1AADRA2A |
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 |