Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.33 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.33 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.33 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.33 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8376331 | 0.87 | NPC1 (0.47) | SIGMAR1NPC1CHRM2CHRM4CHRM1 | |
| SCHEMBL24607816 | 0.81 | HTR1D (0.48) | SIGMAR1NPC1NAAAOPRM1OPRK1 | |
| SCHEMBL12832331 | 0.80 | NPC1 (0.39) | SIGMAR1NPC1CHRM2CHRM4CHRM1 | |
| SCHEMBL4805015 | 0.80 | KDM4E (0.38) | SIGMAR1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL9011558 | 0.79 | NPC1 (0.56) | NPC1NAAA | |
| SCHEMBL3798931 | 0.78 | NPC1 (0.47) | SIGMAR1NPC1 | |
| SCHEMBL9011682 | 0.77 | NPC1 (0.54) | SIGMAR1NPC1NAAA | |
| SCHEMBL9011791 | 0.77 | NPC1 (0.54) | SIGMAR1NPC1NAAA | |
| SCHEMBL262805 | 0.77 | NPC1 (0.54) | SIGMAR1NPC1NAAA | |
| SCHEMBL9011906 | 0.77 | NPC1 (0.54) | SIGMAR1NPC1NAAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120190635-A1 | SELECTIVE OXIDATION OF C-H BONDS OF MODIFIED SUBSTRATES BY P450 MONOOXYGENASE | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2012-07-26 | — | — | US | disclosed |
| WO-2011038313-A2 | SELECTIVE OXIDATION OF C-H BONDS OF MODIFIED SUBSTRATES BY P450 MONOOXYGENASE | REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2011-03-31 | — | — | 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-20120190635-A1 | SELECTIVE OXIDATION OF C-H BONDS OF MODIFIED SUBSTRATES BY P450 MONOOXYGENASE | POR, CYP2E1, CYP1A1 | SIGMAR1 1623/4885NPC1 3399/4885CHRM2 2437/4885 |
“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.