Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.39 |
| ▸ | KDM4A | O75164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29957209 | 0.79 | NR4A1 (0.48) | CYP1A2ALDH1A1HSD17B10KMT2AKDM4E | |
| SCHEMBL2649947 | 0.79 | NR4A1 (0.48) | CYP1A2ALDH1A1HSD17B10KMT2AKDM4E | |
| SCHEMBL11705940 | 0.78 | ALDH1A1 (0.53) | CYP1A2ALDH1A1HSD17B10KMT2AKDM4E | |
| SCHEMBL7192769 | 0.77 | HPGDS (0.36) | CYP1A2ALDH1A1HSD17B10KMT2AKDM4E | |
| SCHEMBL14124751 | 0.77 | KMT2A (0.56) | CYP1A2ALDH1A1HSD17B10KMT2AKDM4E | |
| SCHEMBL890382 | 0.77 | CYP1A2 (0.51) | CYP1A2ALDH1A1HSD17B10KMT2AKDM4E | |
| SCHEMBL7543702 | 0.76 | PTGDR2 (0.37) | ALDH1A1KMT2AKDM4EPOLBNR4A2 | |
| SCHEMBL2649646 | 0.75 | PARP1 (0.48) | KMT2AFFAR1SMN1; SMN2PTGDR2MEN1 | |
| SCHEMBL23528851 | 0.74 | ALDH1A1 (0.39) | ALDH1A1KMT2AKDM4ELMNARAB9A | |
| SCHEMBL7536533 | 0.74 | KMT2A (0.56) | ALDH1A1HSD17B10KMT2AKDM4EHPGD |
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-3428153-A1 | 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS | Parion Sciences, Inc. (US) | 2019-01-16 | — | — | EP | disclosed |