Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.61 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.61 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.61 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6955676 | 0.85 | CA2 (0.58) | HTR1AMTNR1AMTNR1BALDH1A1 | |
| SCHEMBL7319406 | 0.82 | CA2 (0.54) | HTR1AMTNR1A | |
| SCHEMBL4935025 | 0.78 | CA2 (0.60) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8031431 | 0.77 | SIGMAR1 (1.00) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL31061719 | 0.77 | SIGMAR1 (1.00) | HTR1ASIGMAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL23195321 | 0.75 | CA2 (0.58) | HTR1AALDH1A1 | |
| SCHEMBL30152355 | 0.75 | CA2 (0.58) | HTR1AALDH1A1 | |
| Cycloheptane SCHEMBL8317003 | 0.75 | CA2 (0.58) | HTR1A | |
| Cyclopropane SCHEMBL6954169 | 0.75 | CA2 (0.58) | HTR1A | |
| SCHEMBL1567983 | 0.75 | CA2 (0.60) | HTR1AMTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5962513-A | CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-05 | — | — | US | disclosed |
| EP-0540914-B1 | 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system | BAYER AG (DE) | 1999-06-02 | — | — | EP | disclosed |
| US-5468882-A | Serotoninergic agents; central nervous system and psychological disorders | BAYER AKTIENGESELLSCHAFT (DE) | 1995-11-21 | — | — | US | disclosed |
| US-5318988-A | Treating psychoses | BAYER AKTIENGESELLSCHAFT (DE) | 1994-06-07 | — | — | US | disclosed |
| EP-0540914-A1 | 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system | BAYER AG (DE) | 1993-05-12 | — | — | EP | disclosed |