Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3130755 | 1.00 | HTR1A (0.36) | HTR1ADRD2DRD4ALDH1A1POLB | |
| SCHEMBL3130751 | 1.00 | HTR1A (0.36) | HTR1ADRD2DRD4ALDH1A1POLB | |
| SCHEMBL3125266 | 0.89 | PTGES (0.43) | HTR1ADRD2DRD4NPC1RAB9A | |
| SCHEMBL3125272 | 0.89 | PTGES (0.43) | HTR1ADRD2DRD4NPC1RAB9A | |
| SCHEMBL3125263 | 0.89 | PTGES (0.43) | HTR1ADRD2DRD4NPC1RAB9A | |
| SCHEMBL3133412 | 0.86 | PKM (0.43) | ALDH1A1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3121250 | 0.86 | PKM (0.43) | ALDH1A1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3121238 | 0.86 | PKM (0.43) | ALDH1A1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3131648 | 0.83 | ADORA3 (0.45) | ALDH1A1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3133082 | 0.83 | ADORA3 (0.45) | ALDH1A1POLBNPC1RAB9ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689721-B1 | AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS | PFIZER PROD INC (US) | 2010-07-14 | — | — | EP | claimed |
| US-7671072-B2 | Aminopyrazole derivatives as GSK-3 inhibitors | PFIZER INC. (US) | 2010-03-02 | — | — | US | claimed |
| EP-1689721-B1 | AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS | PFIZER PROD INC (US) | 2010-07-14 | — | — | EP | disclosed |