Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL3453829 | 0.82 | GRM5 (0.42) | CYP1A2CYP2C9CYP2C19NPSR1RXFP1 | |
| SCHEMBL3454020 | 0.82 | ACHE (0.40) | CYP1A2ALDH1A1L3MBTL1KDM4EMEN1 | |
| SCHEMBL7291236 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19NPSR1RXFP1 | |
| SCHEMBL7282590 | 0.74 | KDM4E (0.57) | CYP1A2CYP2C9CYP2C19NPSR1RXFP1 | |
| SCHEMBL3453787 | 0.73 | GRM2 (0.37) | CYP1A2CYP2C19P2RY12KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL7296121 | 0.73 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19NPSR1RXFP1 | |
| SCHEMBL7294990 | 0.72 | RXFP1 (0.59) | CYP1A2CYP2C9CYP2C19NPSR1RXFP1 | |
| SCHEMBL3453809 | 0.68 | HSD11B1 (0.57) | ALDH1A1KDM4EMAPTHTR2A | |
| SCHEMBL13698527 | 0.66 | DRD2 (0.60) | ALDH1A1KDM4ELMNAOPRM1OPRK1 | |
| SCHEMBL7292346 | 0.64 | ALDH1A1 (0.54) | CYP2C19NPSR1RXFP1ALDH1A1L3MBTL1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7820817-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-26 | — | — | US | claimed |
| US-20100105693-A1 | Modulators of Muscarinic Receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-29 | — | — | US | claimed |
| EP-1753429-A1 | MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmaceuticals Incorporated (US) | 2007-02-21 | — | — | EP | claimed |
| US-20060019962-A1 | substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain | VERTEX PHARMACEUTICALS INCORPORATED | 2006-01-26 | — | — | US | claimed |
| WO-2005117883-A1 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-12-15 | — | — | WO | claimed |
| US-7820817-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-26 | — | — | US | disclosed |
| US-20100105693-A1 | Modulators of Muscarinic Receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-29 | — | — | US | disclosed |
| EP-1753429-A1 | MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmaceuticals Incorporated (US) | 2007-02-21 | — | — | EP | disclosed |
| US-20060019962-A1 | substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain | VERTEX PHARMACEUTICALS INCORPORATED | 2006-01-26 | — | — | US | disclosed |
| WO-2005117883-A1 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-12-15 | — | — | WO | 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-20100105693-A1 | Modulators of Muscarinic Receptors | CHRM3, CHRM5, CHRM2 | CYP1A2 1308/4885CYP2C9 3416/4885CYP2C19 2400/4885 |
| US-20060019962-A1 | substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain | ACHE, CHRM5, CHRM3 | CYP1A2 273/4885CYP2C9 1006/4885CYP2C19 654/4885 |
“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.