Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7911187 | 0.77 | CPA3 (0.40) | ALDH1A1TSHRMAPK1ADRA1ASLC6A3 | |
| SCHEMBL5151235 | 0.76 | KMT2A (0.39) | LMNA | |
| SCHEMBL5150997 | 0.76 | KMT2A (0.39) | LMNA | |
| Hydrochloric Acid SCHEMBL5148936 | 0.75 | KMT2A (0.39) | LMNA | |
| SCHEMBL3972137 | 0.74 | CTRB1 (0.35) | — | |
| SCHEMBL746094 | 0.74 | CTRB1 (0.35) | TSHR | |
| SCHEMBL5858339 | 0.74 | CTRB1 (0.38) | — | |
| SCHEMBL3699551 | 0.73 | TRPA1 (0.39) | TRPA1KCNH2HRH3MAPK1ADRA1A | |
| SCHEMBL3696640 | 0.73 | TRPA1 (0.39) | TRPA1KCNH2HRH3MAPK1ADRA1A | |
| SCHEMBL2785355 | 0.73 | TRPA1 (0.39) | TRPA1KCNH2HRH3MAPK1ADRA1A |
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-3022199-A1 | CYANOTRIAZOLE COMPOUNDS | Otsuka Pharmaceutical Co., Ltd. (JP) | 2016-05-25 | — | — | EP | disclosed |
| WO-2015008872-A1 | CYANOTRIAZOLE COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-01-22 | — | — | WO | disclosed |