Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2350330 | 0.78 | CA12 (0.49) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL4927199 | 0.78 | CYP2C9 (0.54) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL2642000 | 0.78 | CYP2C9 (0.53) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL489451 | 0.78 | CYP2C9 (0.62) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL28214642 | 0.78 | CYP2C9 (0.53) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL12471367 | 0.77 | ALDH1A1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27667923 | 0.76 | CA1 (0.79) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27723279 | 0.76 | CYP2C9 (0.61) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL6880667 | 0.76 | CA12 (0.55) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL3674155 | 0.75 | CYP2C9 (0.51) | CYP2C9CYP2C19CA12CA1CA2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-11008340-B2 | Modulators of ROR-gamma | VITAE PHARMACEUTICALS, LLC (US) | 2021-05-18 | — | — | US | disclosed |
| EP-3377482-B1 | MODULATORS OF ROR-GAMMA | VITAE PHARMACEUTICALS LLC (US) | 2021-05-12 | — | — | EP | disclosed |
| US-20190322687-A1 | MODULATORS OF ROR-GAMMA | VITAE PHARMACEUTICALS, LLC (US) | 2019-10-24 | — | — | US | disclosed |
| EP-3377482-A1 | MODULATORS OF ROR-GAMMA | Vitae Pharmaceuticals, Inc. (US) | 2018-09-26 | — | — | EP | disclosed |
| 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 (4 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-11008340-B2 | Modulators of ROR-gamma | RORC, RORB, RORA | CYP2C9 682/4885CYP2C19 811/4885CA12 2264/4885 |
| US-20190322687-A1 | MODULATORS OF ROR-GAMMA | RORC, RORB, RORA | CYP2C9 682/4885CYP2C19 811/4885CA12 2264/4885 |
| US-20100105693-A1 | Modulators of Muscarinic Receptors | CHRM3, CHRM5, CHRM2 | CYP2C9 3416/4885CYP2C19 2400/4885CA12 2687/4885 |
| 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 | CYP2C9 1006/4885CYP2C19 654/4885CA12 3292/4885 |
“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.