Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7828016 | 0.83 | ADRA2A (0.54) | CHRNA7SMN1; SMN2ADRA2A | |
| SCHEMBL7823957 | 0.83 | ADRA2A (0.54) | SMN1; SMN2ADRA2A | |
| SCHEMBL9052613 | 0.77 | ALDH1A1 (0.38) | ALDH1A1RAB9ACYP3A4KDM4ECHRNA7 | |
| Hydrochloric Acid SCHEMBL7828652 | 0.76 | ALDH1A1 (0.37) | ALDH1A1RAB9ACYP3A4KDM4ECHRNA7 | |
| SCHEMBL7824594 | 0.76 | ADRA2A (0.45) | ALDH1A1SMN1; SMN2ADRA2ATSHR | |
| SCHEMBL11073395 | 0.73 | GAA (0.39) | ALDH1A1RAB9AMAPK1CYP3A4KDM4E | |
| SCHEMBL18630670 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL7815957 | 0.68 | ALDH1A1 (0.49) | ALDH1A1RAB9AMAPK1CYP3A4KDM4E | |
| SCHEMBL7822652 | 0.67 | ACHE (0.41) | ALDH1A1RAB9AMAPK1KDM4ECHRNA7 | |
| SCHEMBL7827339 | 0.66 | GAA (0.42) | ALDH1A1GAASMN1; SMN2ABCB1MAOA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0712845-B1 | Amine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-10-17 | — | — | EP | disclosed |
| US-5633248-A | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS, DIARYLALKYLIDENEDIAMINES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-05-27 | — | — | US | disclosed |
| US-5591849-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, INHIBITORS OF AMINE, AMINE OXIDASE B, AND CALCIUM ION UPTAKE, NEUROPATHY, DYSMNESIA | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-07 | — | — | US | disclosed |
| EP-0712845-A1 | Amine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-22 | — | — | EP | disclosed |
| EP-0670313-A1 | Spiro compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-09-06 | — | — | EP | disclosed |