Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.44 |
| ▸ | HTR2A | P28223 | 6/20 | 0.44 |
| ▸ | HTR2C | P28335 | 6/20 | 0.44 |
| ▸ | HTR2B | P41595 | 6/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7827540 | 0.98 | SIGMAR1 (0.46) | SIGMAR1HTR2AHTR2CHTR2BPDPK1 | |
| Hydrochloric Acid SCHEMBL7828474 | 0.97 | SIGMAR1 (0.44) | SIGMAR1HTR2AHTR2CHTR2BPDPK1 | |
| SCHEMBL31326853 | 0.81 | POLB (0.44) | SIGMAR1HTR2AHTR2CHTR2BPDPK1 | |
| Hydrochloric Acid SCHEMBL8842140 | 0.79 | PARP10 (0.46) | PARP1PARP10PARP11CES1 | |
| Hydrochloric Acid SCHEMBL8841619 | 0.79 | CA9 (0.37) | PARP1PARP10MAPTGAA | |
| SCHEMBL1721598 | 0.77 | TSHR (0.42) | HTR2AMAOBLMNA | |
| SCHEMBL7831136 | 0.76 | SMN1; SMN2 (0.55) | HTR2AHTR2CHTR2BALDH1A1MAPT | |
| SCHEMBL13477084 | 0.76 | SMN1; SMN2 (0.54) | HTR2AHTR2CHTR2BALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL7828632 | 0.76 | SMN1; SMN2 (0.54) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| Hydrochloric Acid SCHEMBL8842098 | 0.74 | HSD17B10 (0.42) | ALDH1A1MAPT |
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 9 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 |
| EP-0679642-B1 | Condensed heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-11-10 | — | — | EP | disclosed |
| US-5654296-A | HORMONE INHIBITOR; NERVOUS SYSTEM DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-08-05 | — | — | US | disclosed |
| US-5633248-A | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS, DIARYLALKYLIDENEDIAMINES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-05-27 | — | — | US | disclosed |
| US-5607939-A | CALCIUM ANTAGONIST, GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND MONOAMINEU UPTAKE INHIBITORS FOR CENTRAL NERVOUS SYSTEM DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-03-04 | — | — | 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-0679642-A1 | Condensed heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-02 | — | — | EP | disclosed |
| EP-0670313-A1 | Spiro compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-09-06 | — | — | EP | disclosed |