Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6557826 | 1.00 | MCHR1 (0.41) | MCHR1HTR1ADRD3CDK4CCND1 | |
| SCHEMBL6557825 | 1.00 | MCHR1 (0.41) | MCHR1HTR1ADRD3CDK4CCND1 | |
| SCHEMBL6556370 | 1.00 | MCHR1 (0.41) | MCHR1HTR1ADRD3CDK4CCND1 | |
| SCHEMBL6556434 | 0.90 | CDK4 (0.41) | MCHR1HTR1ADRD3CDK4CCND1 | |
| SCHEMBL6556430 | 0.90 | CDK4 (0.41) | MCHR1HTR1ADRD3CDK4CCND1 | |
| SCHEMBL6558519 | 0.90 | CDK4 (0.41) | MCHR1HTR1ADRD3CDK4CCND1 | |
| SCHEMBL6556425 | 0.90 | CDK4 (0.41) | MCHR1HTR1ADRD3CDK4CCND1 | |
| SCHEMBL6558482 | 0.88 | CHRM2 (0.44) | HTR1ADRD3DRD2HTR2CHRH1 | |
| SCHEMBL6558479 | 0.88 | CHRM2 (0.44) | HTR1ADRD3DRD2HTR2CHRH1 | |
| SCHEMBL6558486 | 0.88 | CHRM2 (0.44) | HTR1ADRD3DRD2HTR2CHRH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0958285-B1 | TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES | HOFFMANN LA ROCHE (CH) | 2004-01-07 | — | — | EP | disclosed |
| US-6310208-B1 | Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines | HOFFMANN-LA ROCHE INC. | 2001-10-30 | — | — | US | disclosed |