Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 7/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL21167728 | 0.88 | NPC1 (0.43) | PIK3CANPC1KLKB1KLK1DHFR | |
| SCHEMBL21167631 | 0.88 | BACE1 (0.44) | PIK3CANPC1KLKB1KLK1KDR | |
| SCHEMBL21167657 | 0.87 | NPC1 (0.42) | NPC1KLKB1KLK1DHFRKDR | |
| SCHEMBL21167629 | 0.87 | NPC1 (0.44) | NPC1KLKB1KLK1DHFRKDR | |
| SCHEMBL21167454 | 0.86 | NPC1 (0.44) | NPC1KLKB1KLK1DHFRKDR | |
| SCHEMBL21167492 | 0.86 | KLKB1 (0.38) | NPC1KLKB1KLK1DHFRKDR | |
| SCHEMBL21167575 | 0.85 | NPC1 (0.41) | NPC1KLKB1KLK1DHFRKDR | |
| SCHEMBL21167640 | 0.85 | KLKB1 (0.46) | NPC1KLKB1KLK1KDRHDAC6 | |
| SCHEMBL23128074 | 0.84 | KDR (0.41) | PIK3CANPC1KLKB1KLK1DHFR | |
| SCHEMBL21167585 | 0.84 | KDR (0.41) | NPC1KLKB1KLK1DHFRKDR |
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 3 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-B1 | SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS | HUTCHISON MEDIPHARMA LTD (CN) | 2020-09-30 | — | — | 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 |