Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 10/20 | 0.46 |
| ▸ | DRD2 | P14416 | 5/20 | 0.46 |
| ▸ | HTR1A | P08908 | 4/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 4/20 | 0.44 |
| ▸ | DRD3 | P35462 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5219792 | 0.78 | HTR1D (0.52) | HTR1DDRD2HTR1AHTR2ADRD4 | |
| SCHEMBL8256333 | 0.78 | AKR1C3 (0.48) | DRD2DRD3PARP1TSHRKDM1A | |
| SCHEMBL10164087 | 0.78 | AKR1C3 (0.48) | DRD2DRD3PARP1TSHRKDM1A | |
| SCHEMBL18598471 | 0.77 | ESR1 (0.41) | DRD2DRD4DRD3 | |
| SCHEMBL6812048 | 0.77 | HTR1D (0.56) | HTR1DDRD2HTR1AHTR2ADRD4 | |
| SCHEMBL5093578 | 0.77 | HTR1D (0.56) | HTR1DDRD2HTR1AHTR2ADRD4 | |
| SCHEMBL27563760 | 0.76 | HTR1D (0.43) | HTR1DDRD2HTR1AHTR2ADRD4 | |
| SCHEMBL25195403 | 0.75 | AKR1C3 (0.44) | DRD2DRD3PARP1TSHRKDM1A | |
| SCHEMBL31394626 | 0.73 | SRD5A1 (0.39) | HTR2ASLC6A4KDM1A | |
| SCHEMBL18995114 | 0.73 | HTR2C (0.49) | HTR1AHTR2ASLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0836599-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-22 | — | — | EP | claimed |
| CN-107635555-A | Use of buspirone metabolites | 康特拉医药公司 | 2018-01-26 | — | — | CN | disclosed |
| EP-0836599-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002259-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1997-01-23 | — | — | WO | disclosed |