Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | C1R | P00736 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.32 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GUSB | P08236 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL2706604 | 0.83 | BACE1 (0.56) | BACE1GRM5KCNH2C1RKMT2A | |
| SCHEMBL29923487 | 0.81 | BACE1 (0.55) | BACE1GRM5KCNH2C1RKMT2A | |
| SCHEMBL24695125 | 0.81 | BACE1 (0.55) | BACE1GRM5KCNH2C1RKMT2A | |
| SCHEMBL31434331 | 0.75 | BACE1 (0.51) | BACE1GRM5KCNH2CYP1A2TYMS | |
| SCHEMBL18995270 | 0.75 | BACE1 (0.60) | BACE1GRM5KCNH2C1RKMT2A | |
| SCHEMBL28415013 | 0.74 | BACE1 (0.64) | BACE1GRM5KCNH2C1RKMT2A | |
| SCHEMBL12152293 | 0.74 | KCNH2 (0.57) | BACE1KCNH2KDM4EALDH1A1GAA | |
| SCHEMBL3067674 | 0.71 | BACE1 (1.00) | BACE1GRM5KCNH2TYMSKDM4E | |
| SCHEMBL4953591 | 0.71 | BACE1 (0.60) | BACE1GRM5KCNH2C1RKMT2A | |
| SCHEMBL707745 | 0.71 | BACE1 (0.66) | BACE1GRM5KCNH2C1RKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1996180-B1 | BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS | BIOTA EUROPE LTD (GB) | 2011-08-03 | — | — | EP | disclosed |