Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | ITGAL | P20701 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11112282 | 0.74 | CYP19A1 (0.40) | NISCHKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL7927161 | 0.74 | ALOX5 (0.38) | NISCHMEN1ALDH1A1KMT2AHTR1A | |
| SCHEMBL10601545 | 0.73 | RAB9A (0.33) | NISCHALDH1A1ABCG2CA2ITGB2 | |
| Hydrochloric Acid SCHEMBL8120795 | 0.73 | ALOX5 (0.38) | NISCHMEN1ALDH1A1KMT2AHTR1A | |
| Hydrochloric Acid SCHEMBL10603135 | 0.72 | POLB (0.34) | ALDH1A1CA2NPC1RAB9AL3MBTL1 | |
| SCHEMBL7927222 | 0.72 | HTT (0.39) | KDM4EMEN1ALDH1A1KMT2ANPC1 | |
| SCHEMBL30821601 | 0.69 | KDM4E (0.37) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL3069884 | 0.69 | KDM4E (0.37) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL18365855 | 0.68 | ABCG2 (0.50) | NISCHABCG2CA2ITGB2ICAM1 | |
| SCHEMBL31412834 | 0.67 | CHRNB4 (0.43) | NISCHABCG2HTR1AADRA2ADRD1 |
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-0180889-B1 | 3-AMINO-2,3-DIHYDRO-1-BENZOXEPINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS | Kali-Chemie Pharma GmbH (DE) | 1989-06-07 | — | — | EP | claimed |
| US-4672062-A | ANTIDEPRESSANTS | KALI-CHEMIE PHARMA GMBH (DE) | 1987-06-09 | — | — | US | claimed |
| US-5084007-A | Method for chemical promotion of the effects of low current transcranial electrostimulation | MALIN DAVID H (US) | 1992-01-28 | — | — | US | disclosed |
| WO-1991001756-A1 | METHOD FOR CHEMICAL PROMOTION OF THE EFFECTS OF LOW CURRENT TRANSCRANIAL ELECTROSTIMULATION | SKOLNICK MALCOLM H (US) | 1991-02-21 | — | — | WO | disclosed |
| EP-0180889-B1 | 3-AMINO-2,3-DIHYDRO-1-BENZOXEPINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS | Kali-Chemie Pharma GmbH (DE) | 1989-06-07 | — | — | EP | disclosed |
| US-4672062-A | ANTIDEPRESSANTS | KALI-CHEMIE PHARMA GMBH (DE) | 1987-06-09 | — | — | US | disclosed |
| US-4672062-A | ANTIDEPRESSANTS | KALI-CHEMIE PHARMA GMBH (DE) | 1987-06-09 | — | — | US | disclosed |
| US-4672062-A | ANTIDEPRESSANTS | KALI-CHEMIE PHARMA GMBH (DE) | 1987-06-09 | — | — | US | disclosed |
| EP-0180889-A2 | 3-Amino-2,3-dihydro-1-benzoxepine compounds, process for their preparation and medicaments containing these compounds | Kali-Chemie Pharma GmbH (DE) | 1986-05-14 | — | — | EP | disclosed |