Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4893799 | 0.80 | TSHR (0.49) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL3633383 | 0.79 | TSHR (0.61) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL2404071 | 0.73 | TAAR1 (0.62) | ALDH1A1KDM4ETAAR1CHRM2CHRM1 | |
| SCHEMBL15127558 | 0.73 | TSHR (0.65) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL15015186 | 0.71 | CHRM3 (0.40) | ALDH1A1MEN1KMT2ATAAR1CHRM2 | |
| SCHEMBL8819203 | 0.70 | TSHR (0.71) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL8820471 | 0.69 | TSHR (0.71) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL8819880 | 0.69 | TSHR (0.69) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL9967820 | 0.67 | TSHR (0.54) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL4886615 | 0.67 | LMNA (0.56) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2146957-B1 | QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2013-06-12 | — | — | EP | disclosed |
| WO-2008133900-A1 | QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2008-11-06 | — | — | WO | disclosed |