Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1544031 | 0.93 | TP53 (0.47) | ALDH1A1MAPK1TP53RAB9ANPC1 | |
| SCHEMBL5744047 | 0.81 | TP53 (0.48) | ALDH1A1MAPK1TP53RAB9ANPC1 | |
| SCHEMBL4048480 | 0.80 | MEN1 (0.39) | ALDH1A1TP53RAB9ATHRBCYP1A2 | |
| SCHEMBL1220800 | 0.80 | NOTUM (0.56) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1222427 | 0.79 | NOTUM (0.54) | ALDH1A1RAB9ANPC1CYP1A2CYP2D6 | |
| SCHEMBL8231067 | 0.79 | PTPN1 (0.40) | ALDH1A1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4049004 | 0.76 | TP53 (0.43) | TP53CYP2C9CYP2C19POLBMAPT | |
| SCHEMBL4101694 | 0.75 | NOTUM (0.50) | TP53THRBCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30948143 | 0.74 | SCD (0.41) | ALDH1A1MAPK1TP53RAB9ANPC1 | |
| SCHEMBL2535956 | 0.73 | MEN1 (0.47) | ALDH1A1TP53RAB9ANPC1CYP1A2 |
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-1716152-A2 | FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | AstraZeneca AB (SE) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005080397-A2 | FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | ASTRAZENECA AB (SE) | 2005-09-01 | — | — | WO | disclosed |