Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL22004160 | 0.82 | ACLY (0.51) | ACLYALDH1A1CYP11B2CYP11B1HTR2B | |
| SCHEMBL22005105 | 0.81 | ACLY (0.46) | ACLYALDH1A1CYP11B2CYP11B1USP2 | |
| SCHEMBL22004122 | 0.80 | ACLY (0.46) | ACLYCYP11B2CYP11B1USP2HTT | |
| SCHEMBL22005030 | 0.77 | ACLY (0.40) | ACLYALDH1A1CYP11B2CYP11B1USP2 | |
| SCHEMBL22004392 | 0.76 | ACLY (0.47) | ACLYALDH1A1CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL22004330 | 0.72 | ACLY (0.50) | ACLY | |
| SCHEMBL21304004 | 0.67 | ALDH1A1 (0.55) | ALDH1A1PKM | |
| SCHEMBL12377318 | 0.66 | CACNA1D (0.50) | ALDH1A1CYP3A4PKM | |
| SCHEMBL355696 | 0.66 | USP2 (0.47) | ALDH1A1CYP11B2CYP11B1HTR2BHTR6 | |
| SCHEMBL12377327 | 0.65 | ALDH1A1 (0.47) | ALDH1A1USP2CYP3A4PKM |
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 |
|---|---|---|---|---|---|---|---|
| US-20200157076-A1 | ACLY INHIBITORS AND USES THEREOF | NIMBUS DISCOVERY, INC. | 2020-05-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200157076-A1 | ACLY INHIBITORS AND USES THEREOF | ACLY, ATP5ME, ATP5MG | ACLY 1/4885ALDH1A1 1455/4885CYP11B2 2971/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.