Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | MC4R | P32245 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL5187221 | 0.89 | NPC1 (0.37) | TSHRNPSR1NPC1RAB9AEPHX2 | |
| SCHEMBL4694770 | 0.84 | NPC1 (0.35) | NPC1RAB9AEPHX2MC4RHTR2C | |
| SCHEMBL4696597 | 0.83 | NPC1 (0.35) | NPC1RAB9AEPHX2MC4RHTR2C | |
| SCHEMBL5256975 | 0.82 | NAAA (0.52) | TSHRALDH1A1GAANAAA | |
| SCHEMBL5256420 | 0.81 | BCHE (0.42) | NPC1RAB9AALDH1A1GAAMAPKAPK2 | |
| SCHEMBL4136367 | 0.81 | BCHE (0.42) | NPC1RAB9AALDH1A1GAAMAPKAPK2 | |
| SCHEMBL5255876 | 0.80 | MEN1 (0.37) | NPC1RAB9AALDH1A1GAAHTR1A | |
| SCHEMBL4693843 | 0.79 | KEAP1 (0.40) | TSHRNPC1RAB9AALDH1A1 | |
| SCHEMBL4155681 | 0.77 | ALDH1A1 (0.34) | TSHRNPSR1NPC1RAB9AEPHX2 | |
| SCHEMBL4695715 | 0.77 | NPC1 (0.33) | NPSR1NPC1RAB9AEPHX2MC4R |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1798231-A2 | Intermediate products for the preparation of antibacterial compounds | NOVEXEL (FR) | 2007-06-20 | — | — | EP | disclosed |
| EP-1399444-B1 | NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS | NOVEXEL (FR) | 2007-04-11 | — | — | EP | disclosed |