Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20568482 | 0.90 | BRAF (0.36) | ALDH1A1HPGDSCN9AKDM4EPTGS2 | |
| SCHEMBL20568466 | 0.86 | STK10 (0.34) | PDE3BPDE3ALMNASCN9AGAA | |
| SCHEMBL23348208 | 0.82 | BRAF (0.38) | CYP1A2SCN9APTGS2 | |
| SCHEMBL20567844 | 0.80 | ALDH1A1 (0.44) | PDE3BPDE3AALDH1A1CYP1A2HPGD | |
| SCHEMBL23327335 | 0.77 | STK10 (0.34) | SCN9A | |
| SCHEMBL20568371 | 0.76 | CCNC (0.43) | ALDH1A1CYP1A2HPGDCYP2C19LMNA | |
| SCHEMBL20568485 | 0.74 | NEK1 (0.38) | PDE3BPDE3AGAAKDM4ESLC6A3 | |
| SCHEMBL29750710 | 0.73 | SCN9A (0.35) | CYP1A2CYP2C19LMNASCN9APTGS2 | |
| SCHEMBL20568483 | 0.73 | PRKCZ (0.33) | PDE3BPDE3AALDH1A1HPGDSCN9A | |
| SCHEMBL20568373 | 0.73 | GPR35 (0.35) | PDE3BPDE3ALMNAGAAKDM4E |
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-3630728-B1 | INHIBITORS OF METALLO-BETA-LACTAMASES | UNIV OXFORD INNOVATION LTD (GB) | 2022-07-27 | — | — | EP | disclosed |
| EP-3630728-A1 | INHIBITORS OF METALLO-BETA-LACTAMASES | Oxford University Innovation Limited (GB) | 2020-04-08 | — | — | EP | disclosed |
| WO-2018215799-A1 | INHIBITORS OF METALLO-BETA-LACTAMASES | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2018-11-29 | — | — | WO | disclosed |