Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | NR2E1 | Q9Y466 | 5/20 | 0.58 |
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.52 |
| ▸ | HTR2B | P41595 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.52 |
| ▸ | HTR2A | P28223 | 3/20 | 0.52 |
| ▸ | HTR2C | P28335 | 3/20 | 0.52 |
| ▸ | HTR6 | P50406 | 3/20 | 0.52 |
| ▸ | SCN1A | P35498 | 2/20 | 0.52 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770411 | 0.83 | BACE1 (0.60) | CYP1A2CYP2C19MEN1KMT2AKDM4E | |
| SCHEMBL9770447 | 0.81 | BACE1 (0.57) | CYP1A2CYP2C19MEN1KMT2AKDM4E | |
| SCHEMBL9770415 | 0.81 | BACE1 (0.57) | CYP1A2MEN1KMT2AKDM4EBACE1 | |
| SCHEMBL9770237 | 0.81 | KDM4E (0.57) | CYP1A2CYP2C19MEN1KMT2AKDM4E | |
| SCHEMBL29437208 | 0.80 | CYP1A2 (0.83) | CYP1A2CYP2C19MEN1KMT2AKDM4E | |
| SCHEMBL1394219 | 0.80 | CYP1A2 (0.83) | CYP1A2CYP2C19MEN1KMT2AKDM4E | |
| SCHEMBL9770521 | 0.79 | BACE1 (0.52) | CYP1A2CYP2C19MEN1KMT2ABACE1 | |
| SCHEMBL9770387 | 0.78 | BACE1 (0.51) | CYP1A2MEN1KMT2AKDM4EBACE1 | |
| SCHEMBL9480490 | 0.77 | BACE1 (0.80) | CYP1A2CYP2C19MEN1KMT2AKDM4E | |
| SCHEMBL9770377 | 0.77 | BACE1 (0.67) | CYP2C19KDM4EBACE1SMN1; SMN2CYP2C9 |
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 |