Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | DRD1 | P21728 | 4/20 | 0.38 |
| ▸ | DRD5 | P21918 | 4/20 | 0.38 |
| ▸ | DRD3 | P35462 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7816912 | 0.84 | ESR2 (0.50) | ESR1ESR2ABHD6DRD2DRD1 | |
| Hydrochloric Acid SCHEMBL8841955 | 0.80 | ALDH1A1 (0.42) | ALDH1A1MEN1MAPTCYP2C19KMT2A | |
| SCHEMBL7826554 | 0.80 | ESR1 (0.34) | ESR1ESR2ALDH1A1HSD17B10MEN1 | |
| SCHEMBL7816562 | 0.78 | LMNA (0.38) | SMN1; SMN2NPC1ALDH1A1RAB9AMEN1 | |
| Hydrochloric Acid SCHEMBL9231079 | 0.77 | DRD1 (0.48) | ADRA2ADRD2DRD1DRD5DRD3 | |
| Hydrochloric Acid SCHEMBL8841720 | 0.75 | CYP2C19 (0.46) | ESR1ESR2ADRA2ADRD2DRD1 | |
| SCHEMBL8842432 | 0.75 | HTR1A (0.48) | DRD2DRD3SMN1; SMN2ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL8841606 | 0.74 | HTR1A (0.48) | DRD2DRD3SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL8841742 | 0.73 | DRD1 (0.44) | ADRA2ADRD2DRD1DRD5DRD3 | |
| SCHEMBL2309023 | 0.72 | ESR1 (0.85) | ESR1ESR2ABHD6DRD2DRD1 |
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 |