Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | SOD1 | P00441 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2536566 | 0.83 | CYP3A4 (0.47) | SOD1CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL548657 | 0.83 | NR1H2 (0.49) | NR1H2NR1H3SOD1CETPCYP3A4 | |
| SCHEMBL2534644 | 0.82 | ACHE (0.48) | CYP3A4CYP2C9CYP2C19CYP4F2CYP4A11 | |
| SCHEMBL548030 | 0.78 | CETP (0.51) | NR1H2NR1H3CETPCYP2C9ALDH1A1 | |
| SCHEMBL548150 | 0.78 | NR1H2 (0.46) | NR1H2NR1H3SOD1CETPCYP3A4 | |
| SCHEMBL304190 | 0.78 | ESR1 (0.50) | CYP3A4ESR1ESR2ALDH1A1ALOX15 | |
| SCHEMBL548388 | 0.77 | NPC1 (0.47) | NR1H2NR1H3CETPCYP3A4CYP2C9 | |
| SCHEMBL29718811 | 0.77 | NR1H2 (0.37) | NR1H2NR1H3SOD1CETPCYP3A4 | |
| SCHEMBL28782372 | 0.77 | NR1H2 (0.37) | NR1H2NR1H3SOD1CETPCYP3A4 | |
| SCHEMBL1546661 | 0.77 | TP53 (0.52) | SOD1CYP3A4CYP2C19ALDH1A1ALOX15 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8044070-B2 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | MSD K.K. (JP) | 2011-10-25 | — | — | US | disclosed |
| US-20100210637-A1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | MSD K.K. (JP) | 2010-08-19 | — | — | US | disclosed |
| US-7595316-B2 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-09-29 | — | — | US | disclosed |
| US-20060178375-A1 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | MSD K.K. (JP) | 2006-08-10 | — | — | US | disclosed |
| EP-1642898-A1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-04-05 | — | — | 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 (2 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-20060178375-A1 | Heteroaryloxy nitrogenous saturated heterocyclic derivative | HRH3, HRH4, HCRTR2 | NR1H2 89/4885NR1H3 82/4885SOD1 3132/4885 |
| US-20100210637-A1 | HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE | HRH3, HRH4, HRH2 | NR1H2 62/4885NR1H3 69/4885SOD1 2093/4885 |
“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.