Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2584466 | 1.00 | CYP2A6 (0.40) | CYP2A6APPERN1BACE1CA12 | |
| SCHEMBL14736145 | 1.00 | CYP2A6 (0.40) | CYP2A6APPERN1BACE1CA12 | |
| SCHEMBL31573606 | 0.82 | APP (0.37) | APP | |
| SCHEMBL31573688 | 0.82 | APP (0.37) | APP | |
| SCHEMBL31573785 | 0.82 | APP (0.37) | APP | |
| SCHEMBL2549468 | 0.81 | ERN1 (0.52) | CYP2A6ERN1ALDH1A1 | |
| SCHEMBL2564460 | 0.80 | ERN1 (0.40) | CYP2A6ERN1CA12CA9ALOX15 | |
| SCHEMBL2564464 | 0.80 | ERN1 (0.40) | CYP2A6ERN1CA12CA9ALOX15 | |
| SCHEMBL29645435 | 0.73 | — | — | |
| SCHEMBL5469035 | 0.73 | — | — |
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-2011127383-A2 | BORON-CONTAINING PI-ELECTRON MATERIALS INCORPORATING FORMALLY AROMATIC AND NEUTRAL BOREPIN RINGS | THE JOHNS HOPKINS UNIVERSITY (US) | 2011-10-13 | — | — | WO | disclosed |