Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL197196 | 0.70 | PCSK9 (0.60) | ALDH1A1KDM4EGAACYP2A6CYP2A13 | |
| SCHEMBL8190241 | 0.69 | CLK4 (0.49) | ALDH1A1GAANPC1NPSR1HSD17B10 | |
| SCHEMBL21141809 | 0.68 | ALDH1A1 (0.39) | ALDH1A1KDM4EGAACYP2A6CYP2A13 | |
| SCHEMBL6440778 | 0.68 | KMT2A (0.50) | ALDH1A1KDM4ENPC1MAPTESR1 | |
| SCHEMBL4704320 | 0.68 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAACYP2A6CYP2A13 | |
| SCHEMBL27556606 | 0.67 | TNKS (0.41) | ALDH1A1KDM4EGAANPC1HSD17B10 | |
| SCHEMBL11983700 | 0.67 | CCR1 (0.57) | ALDH1A1KDM4EGAACYP2A6CYP2A13 | |
| SCHEMBL7738310 | 0.65 | FLT1 (0.34) | ALDH1A1NPC1NPSR1LMNATSHR | |
| SCHEMBL14465345 | 0.65 | NPC1 (0.60) | ALDH1A1KDM4ENPC1HSD17B10LMNA | |
| SCHEMBL5163455 | 0.65 | KDM4E (0.50) | ALDH1A1KDM4EGAACYP2A6CYP2A13 |
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-6103736-A | SHOWING AN INHIBITORY ACTION ON GASTRIC ACID SECRETION AND A PROTECTIVE ACTION OF GASTRIC MUCOSA; 2-(HETERO)ARYL-3-AMINOIMIDAZO-(2,1-A)ISOQUINOLINES; ANTIULCER AGENTS; | SHINNIPPON PHARMACEUTICAL INC. (JP) | 2000-08-15 | — | — | US | disclosed |