Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.61 |
| ▸ | DRD4 | P21917 | 6/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CA6 | P23280 | 1/20 | 0.61 |
| ▸ | CA5A | P35218 | 1/20 | 0.61 |
| ▸ | CA7 | P43166 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.61 |
| ▸ | HTR2A | P28223 | 7/20 | 0.61 |
| ▸ | HTR1A | P08908 | 6/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.61 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.61 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.61 |
| ▸ | DRD1 | P21728 | 1/20 | 0.61 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL7401366 | 1.00 | DRD2 (0.61) | DRD2DRD4CA12CA1CA2 | |
| SCHEMBL7400706 | 0.83 | DRD2 (0.67) | DRD2DRD4CA12CA1CA2 | |
| SCHEMBL5698979 | 0.83 | DRD2 (0.73) | DRD2DRD4CA12CA1CA2 | |
| SCHEMBL7397968 | 0.82 | DRD2 (0.72) | DRD2DRD4CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL8301019 | 0.82 | DRD2 (0.65) | DRD2DRD4CA12CA1CA2 | |
| SCHEMBL7401299 | 0.82 | DRD2 (0.65) | DRD2DRD4CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL8178893 | 0.82 | DRD2 (0.72) | DRD2DRD4CA12CA1CA2 | |
| SCHEMBL8593579 | 0.81 | HTR1D (0.49) | DRD2DRD4CA12CA1CA2 | |
| SCHEMBL8593593 | 0.81 | HTR1D (0.49) | DRD2DRD4CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL8179099 | 0.81 | DRD2 (0.71) | DRD2DRD4CA12CA1CA2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0737189-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | UPJOHN CO (US) | 1999-07-28 | — | — | EP | claimed |
| EP-0737189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | PHARMACIA & UPJOHN COMPANY (US) | 1996-10-16 | — | — | EP | claimed |
| WO-1995018118-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | THE UPJOHN COMPANY (US) | 1995-07-06 | — | — | WO | claimed |
| 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-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 |