Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 11/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18851078 | 0.90 | ACLY (0.35) | ACLYIDO1CA12CA2CA9 | |
| SCHEMBL18851357 | 0.89 | ACLY (0.40) | ACLYIDO1CA12CA2CA9 | |
| SCHEMBL20545554 | 0.85 | ACLY (0.40) | ACLYIDO1 | |
| SCHEMBL18851100 | 0.82 | ACLY (0.38) | ACLY | |
| SCHEMBL18851072 | 0.79 | ACLY (0.40) | ACLY | |
| SCHEMBL18851607 | 0.78 | S1PR4 (0.37) | NPC1RAB9AS1PR4 | |
| SCHEMBL18851606 | 0.69 | S1PR4 (0.36) | NPC1RAB9AS1PR4 | |
| SCHEMBL14577242 | 0.65 | CA12 (0.49) | ACLYCA12CA2CA9NPC1 | |
| SCHEMBL18851604 | 0.64 | ITK (0.37) | NPC1RAB9AS1PR4 | |
| SCHEMBL18851095 | 0.64 | ITK (0.37) | NPC1RAB9AS1PR4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017075694-A1 | ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR | SIMON FRASER UNIVERSITY (CA) | 2017-05-11 | — | — | WO | disclosed |