Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2438935 | 0.76 | TSHR (0.58) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL8820471 | 0.74 | TSHR (0.71) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL8819203 | 0.73 | TSHR (0.71) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL8819880 | 0.71 | TSHR (0.69) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL3580777 | 0.69 | LMNA (0.61) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL8109277 | 0.69 | TSHR (0.66) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL15127558 | 0.68 | TSHR (0.65) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL4894063 | 0.67 | TSHR (0.53) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL8820679 | 0.67 | TSHR (0.62) | TSHRLMNANPSR1TP53ALDH1A1 | |
| SCHEMBL11556006 | 0.67 | CHRM2 (0.49) | TSHRLMNAALDH1A1SMN1; SMN2TDP1 |
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-2222637-A1 | AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009079392-A1 | AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2009-06-25 | — | — | WO | disclosed |