Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 3/20 | 0.39 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2124589 | 0.92 | CYP3A4 (0.45) | CYP3A4CYP2C19CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2123555 | 0.91 | CYP3A4 (0.44) | CYP3A4CYP2C19CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2122612 | 0.90 | CYP3A4 (0.43) | CYP3A4CYP2C19CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2122454 | 0.89 | ALDH1A1 (0.47) | CYP3A4CYP2C19CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2125980 | 0.87 | CYP2C19 (0.38) | CYP3A4CYP2C19CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2122639 | 0.85 | ALDH1A1 (0.38) | CYP3A4CYP2C19CYP2C9ALDH1A1KDM4E | |
| SCHEMBL2122057 | 0.83 | MEN1 (0.41) | CYP3A4ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL2124594 | 0.82 | CHRM2 (0.41) | CYP3A4CYP2C19CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2121934 | 0.82 | PKM (0.49) | CYP3A4ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL2124539 | 0.81 | IDO1 (0.44) | CYP3A4CYP2C19CYP2D6CYP2C9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8735388-B2 | Heterocyclic compounds with affinity to muscarinic receptors | ABBVIE B.V. (NL) | 2014-05-27 | — | — | US | disclosed |
| US-20140080861-A1 | HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS | ABBVIE B.V.A (NL) | 2014-03-20 | — | — | US | disclosed |
| US-8586606-B2 | Heterocyclic compounds with affinity to muscarinic receptors | ABBVIE B.V. (NL) | 2013-11-19 | — | — | US | disclosed |
| US-20120095039-A1 | HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS | SOLVAY PHARMACEUTICALS B.V. | 2012-04-19 | — | — | US | disclosed |
| US-8084473-B2 | Heterocyclic compounds with affinity to muscarinic receptors | SOLVAY PHARMACEUTICALS B.V. (NL) | 2011-12-27 | — | — | US | disclosed |
| EP-2150543-A2 | HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS | Solvay Pharmaceuticals B.V. (NL) | 2010-02-10 | — | — | EP | disclosed |
| US-20090018160-A1 | Heterocyclic Compounds with Affinity to Muscarinic Receptors | ABBVIE B.V. (NL) | 2009-01-15 | — | — | US | disclosed |
| WO-2008129054-A2 | HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS | SOLVAY PHARMACEUTICALS B.V. (NL) | 2008-10-30 | — | — | 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 (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-20120095039-A1 | HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS | CHRM3, CHRM5, CHRM2 | CYP3A4 369/4885CYP2C19 482/4885CYP2D6 455/4885 |
| US-20140080861-A1 | HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS | CHRM3, CHRM4, CHRM5 | CYP3A4 392/4885CYP2C19 482/4885CYP2D6 409/4885 |
| US-20090018160-A1 | Heterocyclic Compounds with Affinity to Muscarinic Receptors | CHRM3, CHRM2, CHRM1 | CYP3A4 650/4885CYP2C19 1027/4885CYP2D6 606/4885 |
“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.