Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 5/20 | 0.43 |
| ▸ | HTR1D | P28221 | 5/20 | 0.43 |
| ▸ | HTR2A | P28223 | 5/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ME2 | P23368 | 1/20 | 0.42 |
| ▸ | ME1 | P48163 | 1/20 | 0.42 |
| ▸ | ME3 | Q16798 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | GPR183 | P32249 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8591766 | 1.00 | MAPT (0.48) | MAPTNPSR1DRD2HTR1DHTR2A | |
| SCHEMBL8592579 | 0.88 | HTR1D (0.47) | MAPTNPSR1DRD2HTR1DHTR2A | |
| SCHEMBL8592577 | 0.88 | HTR1D (0.47) | MAPTNPSR1DRD2HTR1DHTR2A | |
| SCHEMBL8593155 | 0.88 | HTR1D (0.47) | MAPTNPSR1DRD2HTR1DHTR2A | |
| SCHEMBL7405316 | 0.86 | ME2 (0.46) | MAPTNPSR1DRD2HTR1DHTR2A | |
| SCHEMBL8590591 | 0.86 | DRD2 (0.57) | MAPTDRD2HTR1DHTR2AHTR1A | |
| SCHEMBL8590585 | 0.86 | DRD2 (0.57) | MAPTDRD2HTR1DHTR2AHTR1A | |
| SCHEMBL8591792 | 0.86 | DRD2 (0.57) | MAPTDRD2HTR1DHTR2AHTR1A | |
| SCHEMBL7398011 | 0.83 | DRD2 (0.59) | MAPTDRD2HTR1DHTR2AHTR1A | |
| SCHEMBL8592428 | 0.83 | DRD2 (0.59) | MAPTDRD2HTR1DHTR2AHTR1A |
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-6133446-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 2000-10-17 | — | — | US | disclosed |
| EP-0737189-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | UPJOHN CO (US) | 1999-07-28 | — | — | EP | 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 |
| EP-0737189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | PHARMACIA & UPJOHN COMPANY (US) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018118-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | THE UPJOHN COMPANY (US) | 1995-07-06 | — | — | WO | disclosed |