Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.63 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6276511 | 0.86 | PDE7A (0.68) | PDE7APDE7BHTTNPSR1ALOX12 | |
| SCHEMBL6278508 | 0.81 | LOXL3 (0.65) | HTTCYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL30103233 | 0.78 | PDE7A (1.00) | PDE7APDE7BHTTNPSR1MAPT | |
| SCHEMBL844588 | 0.78 | PDE7A (1.00) | PDE7APDE7BHTTNPSR1MAPT | |
| SCHEMBL6283951 | 0.78 | PDE7A (0.71) | PDE7APDE7BHTTNPSR1CA12 | |
| SCHEMBL6306891 | 0.78 | PDE7A (0.71) | PDE7APDE7BHTTNPSR1CA12 | |
| SCHEMBL6279687 | 0.78 | PDE7A (0.66) | PDE7APDE7BHTTNPSR1CA12 | |
| SCHEMBL6278489 | 0.76 | KMT2A (0.75) | PDE7APDE7BHTTNPSR1MAPT | |
| SCHEMBL6280615 | 0.75 | ALDH1A1 (0.65) | PDE7APDE7BHTTNPSR1CYP1A2 | |
| SCHEMBL6281073 | 0.74 | PDE7A (0.64) | PDE7APDE7BHTTNPSR1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6897213-B1 | Heterocycles as cholecystokinin (CCK) ligands | WARNER-LAMBERT COMPANY (US) | 2005-05-24 | — | — | US | disclosed |
| US-5869665-A | REACTING 2-HYDRAZINE PRECURSOR WITH HYDROGEN; CYCLIZATION | WARNER-LAMBERT COMPANY (US) | 1999-02-09 | — | — | US | disclosed |
| US-5756502-A | APPETITE SUPPRESSANTS AND ANTISECRETORY AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-05-26 | — | — | US | disclosed |
| WO-1996020178-A1 | NOVEL HETEROCYCLES AS CHOLECYSTOKININ (CCK) LIGANDS | WARNER-LAMBERT COMPANY (US) | 1996-07-04 | — | — | WO | disclosed |