Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 12/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PTGER1 | P34995 | 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 | |
|---|---|---|---|---|
| SCHEMBL18851448 | 0.90 | ACLY (0.34) | ACLYIDO1NPC1RAB9ACA12 | |
| SCHEMBL18851357 | 0.90 | ACLY (0.40) | ACLYIDO1NPC1RAB9ACA12 | |
| SCHEMBL20545554 | 0.87 | ACLY (0.40) | ACLYIDO1 | |
| SCHEMBL18851100 | 0.83 | ACLY (0.38) | ACLYGAA | |
| SCHEMBL18851606 | 0.80 | S1PR4 (0.36) | NPC1RAB9A | |
| SCHEMBL18851072 | 0.80 | ACLY (0.40) | ACLYGAA | |
| SCHEMBL14577242 | 0.66 | CA12 (0.49) | ACLYNPC1RAB9ACA12CA2 | |
| SCHEMBL18851607 | 0.66 | S1PR4 (0.37) | NPC1RAB9A | |
| SCHEMBL18851095 | 0.65 | ITK (0.37) | NPC1RAB9A | |
| SCHEMBL18851604 | 0.65 | ITK (0.37) | NPC1RAB9A |
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 |