Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7816562 | 0.83 | LMNA (0.38) | MEN1KMT2AALDH1A1 | |
| SCHEMBL7828197 | 0.80 | ESR1 (0.54) | ESR1ESR2MEN1KMT2AMTNR1B | |
| SCHEMBL12438368 | 0.75 | ESR1 (0.54) | ESR1ESR2MEN1KMT2AMTNR1B | |
| SCHEMBL7816912 | 0.75 | ESR2 (0.50) | ESR1ESR2 | |
| SCHEMBL7402508 | 0.69 | DHODH (0.51) | DHODHMEN1KMT2AALDH1A1CA9 | |
| SCHEMBL7827193 | 0.68 | RAB9A (0.39) | DHODHMEN1KMT2AALDH1A1CA9 | |
| SCHEMBL23090366 | 0.68 | DHODH (0.57) | DHODHMEN1KMT2AALDH1A1CA9 | |
| SCHEMBL7823921 | 0.65 | KMT2A (0.38) | MEN1KMT2AMTNR1BALDH1A1NPSR1 | |
| Hydrochloric Acid SCHEMBL9227151 | 0.63 | ABCB1 (0.40) | ALDH1A1MAOBMAOA | |
| SCHEMBL21255989 | 0.61 | ESR1 (0.69) | ESR1ESR2MEN1KMT2AALDH1A1 |
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 |