Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.65 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.65 |
| ▸ | HTR2A | P28223 | 1/20 | 0.65 |
| ▸ | SCN1A | P35498 | 1/20 | 0.65 |
| ▸ | HTR2B | P41595 | 1/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.65 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.65 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.65 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL990939 | 0.93 | GAA (0.71) | HRH3ALDH1A1LMNAGAASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL20575398 | 0.92 | GAA (0.70) | HRH3ALDH1A1LMNAGAASMN1; SMN2 | |
| SCHEMBL1242965 | 0.87 | HRH3 (0.70) | HRH3ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL29973108 | 0.86 | HRH3 (0.69) | HRH3ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL9530115 | 0.86 | ALDH1A1 (0.81) | HRH3ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL5685709 | 0.86 | HRH3 (0.72) | HRH3ALDH1A1KCNH2SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL4224523 | 0.84 | HRH3 (0.71) | HRH3ALDH1A1KCNH2LMNASMN1; SMN2 | |
| SCHEMBL14058776 | 0.84 | HRH3 (0.73) | HRH3ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL14714478 | 0.84 | HRH3 (0.77) | HRH3ALDH1A1MAPK1CYP1A2CHRM2 | |
| SCHEMBL11937424 | 0.84 | BCHE (0.76) | HRH3ALDH1A1EPHX2KDM4ECACNA1H |
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-2334681-A1 | 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS | Wyeth LLC (US) | 2011-06-22 | — | — | EP | disclosed |
| US-20110039824-A1 | 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate nuclear receptor inhibitors | WYETH (US) | 2011-02-17 | — | — | US | disclosed |
| WO-2010036362-A1 | 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS | WYETH (US) | 2010-04-01 | — | — | WO | 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-20110039824-A1 | 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate nuclear receptor inhibitors | NR1H4, NR1H2, NR1I3 | HRH3 691/4885ALDH1A1 1149/4885MAPK1 2764/4885 |
“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.