Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 2/20 | 0.43 |
| ▸ | MC5R | P33032 | 2/20 | 0.43 |
| ▸ | MC3R | P41968 | 1/20 | 0.43 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5943554 | 0.87 | MC5R (0.57) | MC4RMC5RMC3RNPC1RAB9A | |
| SCHEMBL5943501 | 0.81 | NPC1 (0.48) | HRH4MC4RMC5RMC3RNPC1 | |
| SCHEMBL5943512 | 0.80 | ATM (0.47) | DRD2ADRA1ADRD3KCNH2HRH4 | |
| SCHEMBL27565799 | 0.80 | MCHR1 (0.47) | MARS1MC4RMC5RMC3RSSTR3 | |
| SCHEMBL10069775 | 0.79 | DRD2 (0.44) | DRD2ADRA1ADRD3KCNH2HRH4 | |
| SCHEMBL5943593 | 0.78 | TP53 (0.42) | DRD2ADRA1ADRD3KCNH2HRH4 | |
| SCHEMBL5943486 | 0.78 | NCF1 (0.59) | DRD2ADRA1ADRD3KCNH2HRH4 | |
| SCHEMBL5943562 | 0.78 | NOS1 (0.46) | NPC1RAB9AHDAC6CYP1A2CYP2D6 | |
| SCHEMBL5943504 | 0.78 | NPC1 (0.51) | DRD2ADRA1ADRD3KCNH2HRH4 | |
| SCHEMBL5943457 | 0.77 | MCHR1 (0.53) | DRD2ADRA1ADRD3KCNH2HRH4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6818655-B2 | 2-AMINOQUINOLINES; CARDIOVASCULAR, GASTROINTESTINAL, PYSCHOLOGICAL, RESPIRATORY AND NERVOUS SYSTEM DISORDERS | SMITHKLINE BEECHAM CORPORATION | 2004-11-16 | — | — | US | disclosed |