Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 11/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21167454 | 0.90 | NPC1 (0.44) | NPC1KDRKLKB1KLK1DHFR | |
| SCHEMBL22476001 | 0.90 | NPC1 (0.42) | NPC1KDRKLKB1KLK1DHFR | |
| SCHEMBL21167621 | 0.89 | NPC1 (0.40) | NPC1KDRKLKB1KLK1DHFR | |
| SCHEMBL24591155 | 0.88 | NPC1 (0.44) | NPC1KDRHDAC6METPDE10A | |
| SCHEMBL21167442 | 0.87 | PIK3CA (0.42) | NPC1KDRDHFRHDAC6 | |
| SCHEMBL21167728 | 0.86 | NPC1 (0.43) | NPC1KDRKLKB1KLK1DHFR | |
| SCHEMBL21167657 | 0.85 | NPC1 (0.42) | NPC1KDRKLKB1KLK1DHFR | |
| SCHEMBL21167629 | 0.85 | NPC1 (0.44) | NPC1KDRKLKB1KLK1DHFR | |
| SCHEMBL29314302 | 0.85 | NPC1 (0.43) | NPC1KDRKLKB1KLK1DHFR | |
| SCHEMBL29317471 | 0.85 | NPC1 (0.43) | NPC1KDRKLKB1KLK1DHFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3795573-B1 | CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR | HUTCHISON MEDIPHARMA LTD (CN) | 2022-07-06 | — | — | EP | disclosed |
| EP-3511330-A1 | SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS | Hutchison Medipharma Limited (CN) | 2019-07-17 | — | — | EP | disclosed |