Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4130806 | 0.92 | GPR183 (0.32) | AGTR2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL20558122 | 0.83 | GHSR (0.36) | AGTR2 | |
| SCHEMBL4695538 | 0.79 | — | — | |
| SCHEMBL5254943 | 0.78 | NPC1 (0.38) | NPC1RAB9AEPHX2 | |
| SCHEMBL4147803 | 0.73 | MMP2 (0.32) | — | |
| SCHEMBL4697074 | 0.72 | NPC1 (0.34) | AGTR2NPC1RAB9AEPHX2 | |
| SCHEMBL3305431 | 0.72 | LMNA (0.34) | NPC1RAB9AEPHX2 | |
| SCHEMBL4695600 | 0.71 | KEAP1 (0.40) | NPC1RAB9A | |
| SCHEMBL5187275 | 0.71 | GPR183 (0.39) | NPC1RAB9A | |
| SCHEMBL20557469 | 0.70 | MEN1 (0.37) | — |
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 3 patents. 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 |
| 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 |