Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 10/20 | 0.62 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL1713623 | 0.92 | NOTUM (0.60) | NOTUMAKT1HSD11B1ROCK2ROCK1 | |
| SCHEMBL8225944 | 0.86 | NOTUM (0.48) | NOTUMAKT1HSD11B1ROCK2ROCK1 | |
| SCHEMBL2984971 | 0.86 | NOTUM (0.48) | NOTUMAKT1HSD11B1ROCK2ROCK1 | |
| SCHEMBL8220767 | 0.86 | NOTUM (0.48) | NOTUMAKT1HSD11B1ROCK2ROCK1 | |
| SCHEMBL655024 | 0.85 | NOTUM (0.80) | NOTUMAKT1ROCK2ROCK1KDM4E | |
| Hydrochloric Acid SCHEMBL2257588 | 0.83 | NOTUM (0.78) | NOTUMAKT1ROCK2ROCK1KDM4E | |
| SCHEMBL13203983 | 0.79 | NOTUM (0.53) | NOTUM | |
| SCHEMBL12315892 | 0.79 | NOTUM (0.51) | NOTUMHSD11B1CYP2D6 | |
| SCHEMBL12316015 | 0.77 | NOTUM (0.46) | NOTUMAKT1HSD11B1ROCK2ROCK1 | |
| SCHEMBL30232786 | 0.77 | NOTUM (0.63) | NOTUMAKT1ROCK2ROCK1 |
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-7786107-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-31 | — | — | US | disclosed |
| US-7786107-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-31 | — | — | US | disclosed |
| US-7786107-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-31 | — | — | US | disclosed |
| US-20100063021-A9 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2010-03-11 | — | — | US | disclosed |
| US-20100063021-A9 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2010-03-11 | — | — | US | disclosed |
| US-20100063021-A9 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2010-03-11 | — | — | US | disclosed |
| US-20080113958-A1 | Treating neurodegenerative diseases, psychological disorders, pain, glaucoma, dru eye, dry mouth, Sjogren's syndrome, asthma, bradycardia, wound healing, gastrointestinal disorders; compounds based on amide- or urea-functional 1,2,3,4-tetrahydrospiro[benzo[b]azepine-5,4'-piperidine] rings | VERTEX PHARMACEUTICALS INCORPORATED | 2008-05-15 | — | — | US | disclosed |
| US-20080113958-A1 | Treating neurodegenerative diseases, psychological disorders, pain, glaucoma, dru eye, dry mouth, Sjogren's syndrome, asthma, bradycardia, wound healing, gastrointestinal disorders; compounds based on amide- or urea-functional 1,2,3,4-tetrahydrospiro[benzo[b]azepine-5,4'-piperidine] rings | VERTEX PHARMACEUTICALS INCORPORATED | 2008-05-15 | — | — | US | disclosed |
| US-20080113958-A1 | Treating neurodegenerative diseases, psychological disorders, pain, glaucoma, dru eye, dry mouth, Sjogren's syndrome, asthma, bradycardia, wound healing, gastrointestinal disorders; compounds based on amide- or urea-functional 1,2,3,4-tetrahydrospiro[benzo[b]azepine-5,4'-piperidine] rings | VERTEX PHARMACEUTICALS INCORPORATED | 2008-05-15 | — | — | US | disclosed |
| WO-2008021545-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-02-21 | — | — | 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-20100063021-A9 | Modulators of muscarinic receptors | CHRM3, CHRM5, CHRM2 | NOTUM 1391/4885AKT1 3498/4885HSD11B1 1412/4885 |
| US-20080113958-A1 | Treating neurodegenerative diseases, psychological disorders, pain, glaucoma, dru eye, dry mouth, Sjogren's syndrome, asthma, bradycardia, wound healing, gastrointestinal disorders; compounds based on amide- or urea-functional 1,2,3,4-tetrahydrospiro[benzo[b]azepine-5,4'-piperidine] rings | HRH2, ACHE, CHRM2 | NOTUM 3021/4885AKT1 2361/4885HSD11B1 3647/4885 |
“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.