Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3268589 | 0.85 | HIF1A (0.50) | SMN1; SMN2HIF1ATRPA1SLC6A2TAAR1 | |
| SCHEMBL6982772 | 0.82 | TRPA1 (0.47) | SMN1; SMN2HIF1ATRPA1SLC6A2TAAR1 | |
| SCHEMBL27479659 | 0.80 | GLA (0.47) | SLC6A2SLC6A4SLC6A3LMNA | |
| SCHEMBL7653149 | 0.79 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ATRPA1SLC6A2TAAR1 | |
| SCHEMBL6977671 | 0.78 | CYP3A4 (0.49) | SMN1; SMN2HIF1ATRPA1SLC6A2TAAR1 | |
| SCHEMBL28972746 | 0.77 | HIF1A (0.46) | SMN1; SMN2HIF1ATRPA1SLC6A2TAAR1 | |
| Trifluoroacetic Acid SCHEMBL14738207 | 0.76 | SMN1; SMN2 (0.49) | SMN1; SMN2HIF1ATRPA1SLC6A2TAAR1 | |
| SCHEMBL16447717 | 0.75 | SLC6A2 (0.52) | SMN1; SMN2HIF1ATRPA1SLC6A2TAAR1 | |
| SCHEMBL31118229 | 0.75 | TRPA1 (0.60) | SMN1; SMN2HIF1ATRPA1SLC6A2TAAR1 | |
| SCHEMBL11259618 | 0.75 | CYP3A4 (0.73) | SMN1; SMN2HIF1ATRPA1SLC6A2TAAR1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015021112-A1 | DISUBSTITUTED ARYL OXY DERIVATIVES AS SPHINGOSINE-1- PHOSPHATE RECEPTORS MODULATORS | ALLERGAN, INC. (US) | 2015-02-12 | — | — | WO | disclosed |
| US-20150045328-A1 | DISUBSTITUTED ARYL OXY DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS | ALLERGAN, INC. | 2015-02-12 | — | — | US | disclosed |
| US-20120071664-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | NDSU RESEARCH FOUNDATION (US) | 2012-03-22 | — | — | US | disclosed |
| US-20120071664-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | NDSU RESEARCH FOUNDATION (US) | 2012-03-22 | — | — | US | disclosed |
| US-8034974-B2 | Beta-amino acids and methods intermediates for making same | NDSU RESEARCH FOUNDATION (US) | 2011-10-11 | — | — | US | disclosed |
| US-8034974-B2 | Beta-amino acids and methods intermediates for making same | NDSU RESEARCH FOUNDATION (US) | 2011-10-11 | — | — | US | disclosed |
| US-20110218342-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | NORTH DAKOTA STATE UNIVERSITY | 2011-09-08 | — | — | US | disclosed |
| US-20110218342-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | NORTH DAKOTA STATE UNIVERSITY | 2011-09-08 | — | — | 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 (3 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-20150045328-A1 | DISUBSTITUTED ARYL OXY DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS | S1PR1, S1PR3, S1PR2 | SMN1; SMN2 3562/4885HIF1A 2285/4885TRPA1 874/4885 |
| US-20120071664-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | BCAT1, BCAT2, DAO | SMN1; SMN2 3890/4885HIF1A 1646/4885TRPA1 3992/4885 |
| US-20110218342-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | BCAT1, BCAT2, DAO | SMN1; SMN2 3890/4885HIF1A 1646/4885TRPA1 3992/4885 |
“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.