Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 3/20 | 0.78 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.78 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.78 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.78 |
| ▸ | THRB | P10828 | 1/20 | 0.78 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.78 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.78 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.78 |
| ▸ | DRD1 | P21728 | 1/20 | 0.78 |
| ▸ | HTR2A | P28223 | 1/20 | 0.78 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.78 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.78 |
| ▸ | HTR2B | P41595 | 1/20 | 0.78 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.78 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 5/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2615177 | 1.00 | ABCB11 (0.78) | ABCB11CHRM2OPRM1P2RY12THRB | |
| SCHEMBL1054769 | 1.00 | ABCB11 (0.78) | ABCB11CHRM2OPRM1P2RY12THRB | |
| SCHEMBL12101937 | 0.89 | ABCB11 (0.78) | ABCB11CHRM2OPRM1P2RY12THRB | |
| SCHEMBL13145137 | 0.89 | ABCB11 (0.78) | ABCB11CHRM2OPRM1P2RY12THRB | |
| SCHEMBL13145041 | 0.89 | ABCB11 (0.78) | ABCB11CHRM2OPRM1P2RY12THRB | |
| SCHEMBL8677579 | 0.88 | ABCB11 (0.61) | ABCB11CHRM2OPRM1P2RY12THRB | |
| Clopidogrel SCHEMBL754557 | 0.88 | ABCB11 (1.00) | ABCB11CHRM2OPRM1P2RY12THRB | |
| SCHEMBL14346729 | 0.88 | ABCB11 (0.77) | ABCB11CHRM2OPRM1P2RY12THRB | |
| Clopidogrel SCHEMBL4769 | 0.88 | ABCB11 (1.00) | ABCB11CHRM2OPRM1P2RY12THRB | |
| SCHEMBL12604076 | 0.88 | ABCB11 (0.77) | ABCB11CHRM2OPRM1P2RY12THRB |
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-20120095217-A1 | FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2012-04-19 | — | — | US | disclosed |
| US-20120095217-A1 | FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2012-04-19 | — | — | US | 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-20120095217-A1 | FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF | FLI1, CDC73, FOS | ABCB11 1817/4885CHRM2 4564/4885OPRM1 2013/4885 |
“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.