Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 1/20 | 0.62 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.60 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.60 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.55 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 3/20 | 0.55 |
| ▸ | DRD4 | P21917 | 3/20 | 0.55 |
| ▸ | DRD3 | P35462 | 3/20 | 0.55 |
| ▸ | NSD2 | O96028 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.46 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19188055 | 0.88 | MMP12 (0.77) | MMP12PDE3BPDE3ADRD2DRD4 | |
| SCHEMBL280003 | 0.87 | MMP12 (0.75) | MMP12CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL4596430 | 0.81 | KIF11 (0.59) | MMP12CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL15344952 | 0.79 | CYP11B1 (0.55) | MMP12CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL4264623 | 0.79 | MMP12 (0.58) | MMP12PDE3BPDE3ADRD2DRD4 | |
| SCHEMBL6297092 | 0.78 | CYP11B1 (0.64) | MMP12CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL4897471 | 0.78 | CYP11B1 (0.56) | MMP12CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL24855219 | 0.77 | NSD2 (0.61) | MMP12CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL279594 | 0.77 | MMP12 (1.00) | MMP12DRD2DRD4DRD3PKM | |
| SCHEMBL24427535 | 0.76 | CYP11B1 (0.55) | MMP12CYP11B1CYP11B2PDE3BPDE3A |
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-2758398-B1 | SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2017-08-02 | — | — | EP | disclosed |