Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.51 |
| ▸ | MAP2K4 | P45985 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | MAT2A | P31153 | 4/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12327780 | 0.86 | FADS1 (0.45) | GSK3BCHEK1GPR84NOS1LMNA | |
| SCHEMBL3191859 | 0.81 | GSK3B (0.45) | GSK3BMAP2K4TRPA1MAT2ACHEK1 | |
| Hydrochloric Acid SCHEMBL20705285 | 0.81 | PRMT5 (0.47) | GSK3BMAP2K4TRPA1GPR84DAO | |
| SCHEMBL130781 | 0.80 | ITK (0.47) | MAP2K4SMN1; SMN2 | |
| SCHEMBL10189221 | 0.80 | KIF11 (0.47) | GSK3BMAP2K4TRPA1SMN1; SMN2TP53 | |
| SCHEMBL25139872 | 0.80 | GSK3B (0.53) | GSK3BMAP2K4TRPA1MAT2ACHEK1 | |
| SCHEMBL13122799 | 0.80 | RAB9A (0.47) | MAP2K4TRPA1SMN1; SMN2LMNA | |
| SCHEMBL5677771 | 0.79 | MAP2K4 (0.51) | GSK3BMAP2K4GPR84 | |
| SCHEMBL11388 | 0.79 | PDPK1 (0.58) | GSK3BNOS1DYRK1AALDH1A1 | |
| SCHEMBL16095565 | 0.79 | AXL (0.50) | GSK3BCHEK1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10273243-B2 | 4-phenylpiperidines, their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2019-04-30 | — | — | US | disclosed |
| US-9580391-B2 | Saturated acyl guanidine for inhibition of F1F0-ATPase | LYCERA CORPORATION (US) | 2017-02-28 | — | — | US | disclosed |
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |
| US-20150094309-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2015-04-02 | — | — | US | disclosed |
| US-20130131064-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-05-23 | — | — | US | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |
| US-8309577-B2 | Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-13 | — | — | US | disclosed |
| US-20120035178-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2012-02-09 | — | — | US | disclosed |
| US-20120035189-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2012-02-09 | — | — | US | disclosed |
| US-7863291-B2 | Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-01-04 | — | — | US | disclosed |
| US-7812045-B2 | Antifungal triazole derivatives | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2010-10-12 | — | — | US | disclosed |
| US-20100099684-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2010-04-22 | — | — | US | disclosed |
| US-20090291945-A1 | CYSTEINE PROTEASE INHIBITORS | TEIJIN PHARMA LIMITED (JP) | 2009-11-26 | — | — | US | disclosed |
| US-20090270405-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-29 | — | — | US | disclosed |
| US-20080194661-A1 | Antifungal Triazole Derivatives | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2008-08-14 | — | — | 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 (9 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-20100099684-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
| US-10273243-B2 | 4-phenylpiperidines, their preparation and use | HTR3C, HRH4, CYP4F3 | GSK3B 3625/4885MAP2K4 685/4885TRPA1 1321/4885 |
| US-20120035189-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
| US-20120035178-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
| US-20090291945-A1 | CYSTEINE PROTEASE INHIBITORS | CTSE, SPINT2, CTSF | GSK3B 3115/4885MAP2K4 4259/4885TRPA1 1467/4885 |
| US-20090270405-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
| US-20130131064-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
| US-20080194661-A1 | Antifungal Triazole Derivatives | ERG28, CYP51A1, CYP3A43 | GSK3B 387/4885MAP2K4 3781/4885TRPA1 2969/4885 |
| US-20150094309-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
“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.