Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 12/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | HRH2 | P25021 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR1E | P28566 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5729666 | 0.81 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL5729079 | 0.80 | GRIN2B (0.50) | GRIN2BCYP2D6CYP2C9TMEM97SIGMAR1 | |
| SCHEMBL20812231 | 0.78 | MEN1 (0.51) | TMEM97SIGMAR1HTR1AHRH2HRH1 | |
| SCHEMBL803869 | 0.74 | SIGMAR1 (0.51) | TMEM97SIGMAR1HTR1AHRH1HRH3 | |
| SCHEMBL1313183 | 0.73 | NPSR1 (0.57) | GRIN2BCYP2D6CYP2C9TMEM97SIGMAR1 | |
| Hydrochloric Acid SCHEMBL1314129 | 0.72 | MEN1 (0.56) | GRIN2BCYP2D6CYP2C9TMEM97SIGMAR1 | |
| SCHEMBL29010221 | 0.72 | CYP46A1 (0.54) | GRIN2BCYP2D6CYP2C9HRH3SMN1; SMN2 | |
| SCHEMBL6079558 | 0.70 | ITGB3 (0.44) | GRIN2BCYP2D6CYP2C9TMEM97SIGMAR1 | |
| SCHEMBL28432287 | 0.70 | MEN1 (0.47) | TMEM97SIGMAR1HTR1AHRH2HRH1 | |
| SCHEMBL23706353 | 0.70 | SMN1; SMN2 (0.68) | GRIN2BCYP2D6CYP2C9TMEM97SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1188755-B1 | ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2006-05-03 | — | — | EP | disclosed |
| US-6723722-B1 | BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-04-20 | — | — | US | disclosed |
| EP-1188755-A1 | ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-03-20 | — | — | EP | disclosed |