Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 8/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | RARA | P10276 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11989043 | 0.76 | HRH1 (0.38) | HTR2AHRH1TRPA1NOS3NOS1 | |
| SCHEMBL13356491 | 0.74 | NOS3 (0.41) | HTR2AHRH1TRPA1NOS3NOS1 | |
| SCHEMBL12083650 | 0.74 | MAPT (0.40) | HTR2AHRH1TRPA1NOS3NOS1 | |
| SCHEMBL515808 | 0.72 | TRPA1 (0.44) | HTR2AHRH1TRPA1NOS3NOS1 | |
| SCHEMBL29697828 | 0.72 | TRPA1 (0.44) | HTR2AHRH1TRPA1NOS3NOS1 | |
| SCHEMBL27008239 | 0.71 | NOS3 (0.50) | HTR2AHRH1TRPA1NOS3NOS1 | |
| SCHEMBL19690478 | 0.70 | TRPA1 (0.51) | TRPA1NOS3NOS1NOS2LMNA | |
| SCHEMBL10176168 | 0.68 | ALDH1A1 (0.45) | HTR2AHRH1TRPA1NOS3NOS1 | |
| SCHEMBL1574796 | 0.66 | NOS3 (0.37) | HTR2AHRH1TRPA1NOS3NOS1 | |
| SCHEMBL25761462 | 0.65 | NOS3 (0.33) | NOS3NOS1NOS2HRH4 |
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-8329905-B2 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | MERCK SHARP & DOHME CORP. (US) | 2012-12-11 | — | — | US | disclosed |
| US-20100137597-A1 | SYNTHESIS Of DIETHYLPHOSPHONATE | SCHERING CORPORATION | 2010-06-03 | — | — | US | disclosed |
| US-7687631-B2 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | SCHERING CORPORATION (US) | 2010-03-30 | — | — | US | disclosed |
| US-20080004449-A1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | TOPROL ACQUISITION LLC | 2008-01-03 | — | — | 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 (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-20080004449-A1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | F2, F2R, PTAFR | HTR2A 310/4885HRH1 219/4885TRPA1 3839/4885 |
| US-20100137597-A1 | SYNTHESIS Of DIETHYLPHOSPHONATE | F2, PTAFR, TBXA2R | HTR2A 426/4885HRH1 167/4885TRPA1 3759/4885 |
“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.