Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | UBE2N | P61088 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28812724 | 0.91 | RXFP1 (0.60) | RXFP1HSD11B1SIGMAR1ALDH1A1CHRM3 | |
| Trifluoroacetic Acid SCHEMBL27703342 | 0.80 | CYP2C9 (0.56) | RXFP1HSD11B1SIGMAR1PKMCYP2C9 | |
| Trifluoroacetic Acid SCHEMBL8588867 | 0.78 | BACE1 (0.54) | RXFP1SIGMAR1ALDH1A1RAD52UBE2N | |
| SCHEMBL7837591 | 0.78 | RXFP1 (0.62) | RXFP1SIGMAR1ALDH1A1ABCC1POLB | |
| Trifluoroacetic Acid SCHEMBL27832857 | 0.78 | SIGMAR1 (0.81) | RXFP1SIGMAR1ALDH1A1PKMRAD52 | |
| SCHEMBL3092100 | 0.78 | HSD11B1 (0.56) | HSD11B1ALDH1A1HCRTR1HCRTR2L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL7719722 | 0.77 | PDK1 (0.57) | SIGMAR1ALDH1A1PKMCYP2D6RAD52 | |
| SCHEMBL4599304 | 0.77 | HSD11B1 (0.59) | HSD11B1ALDH1A1HCRTR1HCRTR2L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL15824184 | 0.77 | PKM (0.62) | RXFP1HSD11B1SIGMAR1ALDH1A1PKM | |
| SCHEMBL8253848 | 0.75 | RXFP1 (0.77) | RXFP1SIGMAR1ALDH1A1L3MBTL1ABCC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1327630-B1 | NEW DERIVATIVES OF CYANO-ARYL (OR CYANOHETEROARYL)-CARBONYL-PIPERAZINYL-PYRIMIDINES, THEIR PREPARATION AND APPLICATION AS MEDICATION | ESTEVE LABOR DR (ES) | 2007-12-12 | — | — | EP | disclosed |
| US-7300937-B2 | Derivatives of cyano-aryl (or cyanoheteroaryl)-carbonyl-piperazinyl-pyrimidines, their preparation and application as medication | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-11-27 | — | — | US | disclosed |
| US-20040048872-A1 | New derivatives of cyano-aryl (or cyanoheteroaryl) -carbonyl- piperazinyl - pyrimidines, their preparation and application as medication | LABORATORIES DEL DR. ESTEVE, S.A. (ES) | 2004-03-11 | — | — | US | disclosed |
| EP-1327630-A1 | NEW DERIVATIVES OF CYANO-ARYL (OR CYANOHETEROARYL)-CARBONYL-PIPERAZINYL-PYRIMIDINES, THEIR PREPARATION AND APPLICATION AS MEDICATION | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2003-07-16 | — | — | 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-20040048872-A1 | New derivatives of cyano-aryl (or cyanoheteroaryl) -carbonyl- piperazinyl - pyrimidines, their preparation and application as medication | CBR3, CBR1, CNR1 | RXFP1 746/4885HSD11B1 1490/4885SIGMAR1 37/4885 |
“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.