Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3127502 | 1.00 | ALDH1A1 (0.44) | ALDH1A1GAARAB9AHSD17B10HPGD | |
| SCHEMBL3127491 | 1.00 | ALDH1A1 (0.44) | ALDH1A1GAARAB9AHSD17B10HPGD | |
| SCHEMBL3131664 | 0.92 | ADORA3 (0.45) | ALDH1A1GAARAB9AHPGDKDM4E | |
| SCHEMBL3133082 | 0.92 | ADORA3 (0.45) | ALDH1A1GAARAB9AHPGDKDM4E | |
| SCHEMBL3131648 | 0.92 | ADORA3 (0.45) | ALDH1A1GAARAB9AHPGDKDM4E | |
| SCHEMBL3132381 | 0.92 | ALDH1A1 (0.41) | ALDH1A1GAARAB9AHPGDNPC1 | |
| SCHEMBL3132371 | 0.92 | ALDH1A1 (0.41) | ALDH1A1GAARAB9AHPGDNPC1 | |
| SCHEMBL3132391 | 0.92 | ALDH1A1 (0.41) | ALDH1A1GAARAB9AHPGDNPC1 | |
| SCHEMBL3124791 | 0.91 | NPC1 (0.48) | ALDH1A1RAB9AHSD17B10HPGDKDM4E | |
| SCHEMBL3124781 | 0.91 | NPC1 (0.48) | ALDH1A1RAB9AHSD17B10HPGDKDM4E |
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 |