Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2429212 | 1.00 | ESR1 (0.42) | ESR1ESR2PDCD1CD274SRC | |
| SCHEMBL1270470 | 0.84 | ALOX5 (0.51) | ALOX5ALDH1A1CYP2C19LMNACYP1A2 | |
| SCHEMBL2576026 | 0.84 | ALOX5 (0.51) | ALOX5ALDH1A1CYP2C19LMNACYP1A2 | |
| SCHEMBL2197076 | 0.84 | ALOX5 (0.51) | ALOX5ALDH1A1CYP2C19LMNACYP1A2 | |
| SCHEMBL2198695 | 0.83 | MAPT (0.39) | ALOX5ALDH1A1CYP2C9LMNAMAPT | |
| SCHEMBL10822232 | 0.82 | SRC (0.41) | ESR1ESR2PDCD1CD274SRC | |
| SCHEMBL7647994 | 0.81 | NPY5R (0.46) | ESR1ESR2PDCD1CD274CYP3A4 | |
| SCHEMBL2239284 | 0.81 | PPARA (0.41) | ESR1ALOX5ALDH1A1BLMCYP2C9 | |
| SCHEMBL2107176 | 0.81 | PPARA (0.41) | ESR1ALOX5ALDH1A1BLMCYP2C9 | |
| SCHEMBL2197875 | 0.81 | TYR (0.47) | ALOX5ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2385040-A1 | Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient | ONO Pharmaceutical Co., Ltd. (JP) | 2011-11-09 | — | — | EP | disclosed |
| US-7910741-B2 | Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-03-22 | — | — | US | disclosed |
| US-20060178399-A1 | Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-08-10 | — | — | US | disclosed |
| EP-1604981-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-12-14 | — | — | EP | 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-20060178399-A1 | Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient | HLA-DRB1, ELANE, MMP8 | ESR1 545/4885ESR2 1259/4885PDCD1 748/4885 |
“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.