Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | KHK | P50053 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | ALPI | P09923 | 1/20 | 0.34 |
| ▸ | ALPG | P10696 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4145877 | 0.90 | HTT (0.39) | KEAP1NFE2L2LMNAHTTKMT2A | |
| SCHEMBL4695600 | 0.80 | KEAP1 (0.40) | KEAP1NFE2L2LMNAHTTKMT2A | |
| SCHEMBL5330841 | 0.79 | TSHR (0.40) | NPC1ALDH1A1TSHRRAB9A | |
| SCHEMBL20558125 | 0.79 | ACHE (0.34) | LMNANPC1HPGDALDH1A1RAB9A | |
| SCHEMBL4694770 | 0.76 | NPC1 (0.35) | NPC1ALDH1A1RAB9A | |
| SCHEMBL4138926 | 0.75 | KEAP1 (0.38) | KEAP1NFE2L2LMNAHTTKMT2A | |
| SCHEMBL4696597 | 0.73 | NPC1 (0.35) | NPC1ALDH1A1RAB9A | |
| SCHEMBL5187221 | 0.71 | NPC1 (0.37) | NPC1HPGDALDH1A1TSHRRAB9A | |
| SCHEMBL20558166 | 0.71 | — | — | |
| SCHEMBL20557971 | 0.70 | CCNB2 (0.35) | NPC1ALDH1A1TSHRRAB9A |
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-1569935-B1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS | NOVEXEL (FR) | 2008-08-20 | — | — | EP | disclosed |