Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9967820 | 0.83 | TSHR (0.54) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL4886615 | 0.83 | LMNA (0.56) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL4885048 | 0.78 | TSHR (0.50) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL4893799 | 0.77 | TSHR (0.49) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL15127558 | 0.76 | TSHR (0.65) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL4887667 | 0.76 | TSHR (0.47) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL9967823 | 0.73 | TSHR (0.51) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL3633383 | 0.73 | TSHR (0.61) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL8819203 | 0.73 | TSHR (0.71) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL8820471 | 0.72 | TSHR (0.71) | TSHRLMNANPSR1TP53ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9216971-B2 | Quaternary ammonium compounds useful as muscarinic receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-12-22 | — | — | US | disclosed |
| US-20140329857-A1 | QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-11-06 | — | — | US | disclosed |
| US-8815907-B2 | Quaternary ammonium compounds useful as muscarinic receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-08-26 | — | — | US | disclosed |
| US-20130281489-A1 | QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2013-10-24 | — | — | US | disclosed |
| US-8492407-B2 | Quaternary ammonium compounds useful as muscarinic receptor antagonists | THERAVANCE, INC. (US) | 2013-07-23 | — | — | US | disclosed |
| EP-2146957-B1 | QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2013-06-12 | — | — | EP | disclosed |
| US-20120232053-A1 | QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2012-09-13 | — | — | US | disclosed |
| US-8202891-B2 | Quaternary ammonium compounds useful as muscarinic receptor antagonists | THERAVANCE, INC. (US) | 2012-06-19 | — | — | US | disclosed |
| US-20080269190-A1 | Chronic obstructive pulmonary disease; asthma | THERAVANCE, INC. | 2008-10-30 | — | — | 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 (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-20130281489-A1 | QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | CHRM2, CHRM5, CHRM1 | TSHR 169/4885LMNA 4391/4885NPSR1 448/4885 |
| US-20120232053-A1 | QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | CHRM2, CHRM5, CHRM1 | TSHR 169/4885LMNA 4391/4885NPSR1 448/4885 |
| US-20080269190-A1 | Chronic obstructive pulmonary disease; asthma | CHRM2, CHRM5, CHRM3 | TSHR 550/4885LMNA 3649/4885NPSR1 392/4885 |
| US-20140329857-A1 | QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | CHRM2, CHRM5, CHRM1 | TSHR 169/4885LMNA 4391/4885NPSR1 448/4885 |
“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.