Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | PRF1 | P14222 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | IP6K1 | Q92551 | 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 | |
|---|---|---|---|---|
| SCHEMBL25184590 | 0.88 | CYP11B1 (0.47) | SIRT2CYP11B1CYP11B2SYKPDE3B | |
| SCHEMBL4395266 | 0.86 | CYP11B1 (0.46) | SIRT2CYP11B1CYP11B2SYKPDE3B | |
| SCHEMBL4397716 | 0.84 | CYP11B1 (0.44) | SIRT2CYP11B1CYP11B2SYKPDE3B | |
| SCHEMBL4397712 | 0.78 | CYP11B1 (0.44) | SIRT2CYP11B1CYP11B2SYKPDE3B | |
| SCHEMBL10916724 | 0.77 | CYP11B1 (0.51) | CYP11B1CYP11B2SYKPDE3BPDE3A | |
| SCHEMBL3597266 | 0.77 | LMNA (0.51) | CYP11B1CYP11B2SYKPDE3BPDE3A | |
| SCHEMBL29567045 | 0.76 | SMYD3 (0.57) | SIRT2SMYD3 | |
| SCHEMBL3190474 | 0.76 | SMYD3 (0.57) | SIRT2SMYD3 | |
| Hydrochloric Acid SCHEMBL28849276 | 0.74 | SMYD3 (0.56) | SIRT2SMYD3 | |
| SCHEMBL9375237 | 0.74 | SIRT2 (0.61) | SIRT2CYP11B1CYP11B2PDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023122212-A2 | SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS | SOUTHERN RESEARCH INSTITUTE (US) | 2023-06-29 | — | — | WO | disclosed |