Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.56 |
| ▸ | HTR1D | P28221 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 7/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 7/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317381 | 1.00 | HTR1A (0.56) | HTR1AHTR1DADRA1DADRA1AADRA1B | |
| SCHEMBL7321215 | 1.00 | HTR1A (0.56) | HTR1AHTR1DADRA1DADRA1AADRA1B | |
| SCHEMBL7318030 | 1.00 | HTR1A (0.56) | HTR1AHTR1DADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL467043 | 0.99 | HTR1A (0.55) | HTR1AHTR1DADRA1DADRA1AADRA1B | |
| SCHEMBL7313874 | 0.87 | NFKB1 (0.46) | HTR1AHTR1DADRA1DADRA1AADRA1B | |
| SCHEMBL7309189 | 0.83 | NFKB1 (0.44) | HTR1AHTR1DADRA1DADRA1AADRA1B | |
| Cyclohexane SCHEMBL8317149 | 0.82 | HTR1A (0.50) | HTR1AHTR1DNFKB1NFKB2RELA | |
| Cycloheptane SCHEMBL8315045 | 0.82 | HTR1A (0.50) | HTR1AHTR1DNFKB1NFKB2RELA | |
| SCHEMBL7321928 | 0.82 | KMT2A (0.50) | HTR1AHTR1DADRA1ANFKB1NFKB2 | |
| SCHEMBL7313786 | 0.82 | KMT2A (0.50) | HTR1AHTR1DADRA1ANFKB1NFKB2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5318988-A | Treating psychoses | BAYER AKTIENGESELLSCHAFT (DE) | 1994-06-07 | — | — | US | claimed |
| 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 |