Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL491300 | 0.86 | SLC6A3 (0.39) | ALDH1A1SLC6A3MAPTMEN1KMT2A | |
| SCHEMBL8663506 | 0.81 | CYP1A2 (0.46) | ALDH1A1CYP2A6SLC6A3MAPTMEN1 | |
| SCHEMBL8668417 | 0.80 | ALDH1A1 (0.43) | ALDH1A1MAPTMEN1KMT2AMAPK1 | |
| SCHEMBL8663516 | 0.77 | MAPT (0.38) | ALDH1A1CYP2A6SLC6A3MAPTMEN1 | |
| SCHEMBL8666981 | 0.76 | MAPT (0.39) | ALDH1A1CYP2A6SLC6A3MAPTMEN1 | |
| SCHEMBL8667184 | 0.71 | CYP1A2 (0.38) | CYP2A6MAPTMEN1KMT2AMAPK1 | |
| SCHEMBL491196 | 0.71 | RAB9A (0.43) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL2996863 | 0.70 | CYP2A6 (0.65) | ALDH1A1CYP2A6KDM4ECYP1A2HSD17B10 | |
| SCHEMBL10684163 | 0.65 | CYP2A6 (1.00) | ALDH1A1CYP2A6MAPK1CYP1A2HSD17B10 | |
| SCHEMBL29903166 | 0.65 | CYP2A6 (1.00) | ALDH1A1CYP2A6MAPK1CYP1A2HSD17B10 |
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-5792589-A | ORGANIC BINDER; OPTICALLY CROSSLINKABLE COMPOUND; RADICAL-GENERATING AGENT: 2,4,5-TRIARYL IMIDAZOLE DIMER, AMINO-GROUP CONTAINING BENZOPHENONE PHOTOSENSITIZER, A THIOL COMPOUND | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1998-08-11 | — | — | US | disclosed |