Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 8/20 | 0.45 |
| ▸ | SLC9A1 | P19634 | 6/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL14931736 | 0.86 | HCAR3 (0.45) | HCAR3SLC9A1CYP2A6EGLN3NPC1 | |
| SCHEMBL9523866 | 0.86 | HCAR3 (0.61) | HCAR3SLC9A1CYP2A6 | |
| SCHEMBL14931778 | 0.86 | HCAR3 (0.48) | HCAR3SLC9A1CYP2A6EGLN3 | |
| SCHEMBL28473872 | 0.84 | HCAR3 (0.49) | HCAR3SLC9A1CYP2A6EGLN3 | |
| SCHEMBL28468120 | 0.82 | HCAR3 (0.46) | HCAR3SLC9A1CYP2A6EGLN3MAPT | |
| SCHEMBL28470307 | 0.80 | HCAR3 (0.45) | HCAR3SLC9A1EGLN3 | |
| SCHEMBL15823043 | 0.80 | HCAR3 (0.41) | HCAR3SLC9A1CYP2A6EGLN3NPC1 | |
| SCHEMBL14942089 | 0.78 | HCAR3 (0.42) | HCAR3SLC9A1CYP2A6NPC1RAB9A | |
| SCHEMBL28465267 | 0.77 | HCAR3 (0.46) | HCAR3SLC9A1CYP2A6NPC1RAB9A | |
| SCHEMBL15822183 | 0.77 | HCAR3 (0.38) | HCAR3SLC9A1FGFR1CYP2A6RAB9A |
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-2017114377-A1 | BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2017-07-06 | — | — | WO | disclosed |