Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19954277 | 0.81 | KCNH2 (0.52) | DPP4ROCK2CYP3A4HRH2HRH1 | |
| SCHEMBL19954317 | 0.81 | KCNH2 (0.52) | DPP4ROCK2CYP3A4HRH2HRH1 | |
| SCHEMBL14400988 | 0.76 | ACHE (0.55) | DPP4ROCK2CYP3A4HRH2HRH1 | |
| SCHEMBL14655999 | 0.76 | DPP4 (0.52) | DPP4ROCK2CYP3A4HRH2HRH1 | |
| Hydrochloric Acid SCHEMBL21995059 | 0.75 | ROCK2 (0.54) | DPP4ROCK2CYP3A4HRH2HRH1 | |
| Hydrochloric Acid SCHEMBL21995057 | 0.75 | ROCK2 (0.54) | DPP4ROCK2CYP3A4HRH2HRH1 | |
| SCHEMBL20124899 | 0.75 | NPC1 (0.52) | DPP4 | |
| SCHEMBL16311052 | 0.75 | DPP4 (0.45) | DPP4ROCK2CYP3A4HRH2HRH1 | |
| SCHEMBL18086474 | 0.75 | NPC1 (0.52) | DPP4 | |
| SCHEMBL3317277 | 0.74 | BRD4 (0.46) | CYP3A4GAA |
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-3833665-A1 | DIAZABICYCLOOCTANONES AS INHIBITORS OF SERINE BETA-LACTAMASES | Antabio SAS (FR) | 2021-06-16 | — | — | EP | disclosed |
| WO-2020030761-A1 | DIAZABICYCLOOCTANONES AS INHIBITORS OF SERINE BETA-LACTAMASES | ANTABIO SAS (FR) | 2020-02-13 | — | — | WO | disclosed |