Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3118575 | 0.94 | CHRM2 (0.59) | CHRM2KCNH2TSHRKCNJ1ALDH1A1 | |
| SCHEMBL3122783 | 0.91 | CHRM2 (0.65) | CHRM2KCNH2TSHRALDH1A1S1PR2 | |
| SCHEMBL3116995 | 0.91 | CHRM2 (0.65) | CHRM2KCNH2TSHRALDH1A1S1PR2 | |
| SCHEMBL3124265 | 0.91 | CHRM2 (0.65) | CHRM2KCNH2TSHRALDH1A1S1PR2 | |
| SCHEMBL7939602 | 0.90 | KCNH2 (0.63) | CHRM2KCNH2TSHRKCNJ1ALDH1A1 | |
| SCHEMBL11238993 | 0.89 | KCNH2 (0.63) | CHRM2KCNH2TSHRALDH1A1MEN1 | |
| SCHEMBL8780821 | 0.89 | CHRM2 (0.57) | CHRM2KCNH2TSHRKCNJ1ALDH1A1 | |
| SCHEMBL11233919 | 0.88 | KCNH2 (0.66) | CHRM2KCNH2ALDH1A1S1PR2S1PR4 | |
| Hydrochloric Acid SCHEMBL11229997 | 0.88 | KCNH2 (0.62) | CHRM2KCNH2TSHRALDH1A1MEN1 | |
| SCHEMBL11235448 | 0.88 | KCNH2 (0.66) | CHRM2KCNH2ALDH1A1S1PR2S1PR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130102571-A1 | SELECTIVE SIGMA-1 RECEPTOR LIGANDS | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-04-25 | — | — | US | disclosed |
| US-20130102571-A1 | SELECTIVE SIGMA-1 RECEPTOR LIGANDS | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-04-25 | — | — | US | disclosed |
| EP-0697407-B1 | Pyrimidinedione derivatives and antiarrhythmic compositions containing same | MITSUI TOATSU CHEMICALS (JP) | 1997-06-25 | — | — | EP | disclosed |
| EP-0697407-A1 | Pyrimidinedione derivatives and antiarrhythmic compositions containing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-02-21 | — | — | 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-20130102571-A1 | SELECTIVE SIGMA-1 RECEPTOR LIGANDS | SIGMAR1, OPRL1, OPRK1 | CHRM2 167/4885KCNH2 2802/4885TSHR 402/4885 |
“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.