Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3124791 | 1.00 | NPC1 (0.48) | NPC1RAB9AALDH1A1ADORA3ADORA2A | |
| SCHEMBL3124781 | 1.00 | NPC1 (0.48) | NPC1RAB9AALDH1A1ADORA3ADORA2A | |
| SCHEMBL3131664 | 0.92 | ADORA3 (0.45) | NPC1RAB9AALDH1A1ADORA3ADORA2A | |
| SCHEMBL3131648 | 0.92 | ADORA3 (0.45) | NPC1RAB9AALDH1A1ADORA3ADORA2A | |
| SCHEMBL3133082 | 0.92 | ADORA3 (0.45) | NPC1RAB9AALDH1A1ADORA3ADORA2A | |
| SCHEMBL3127491 | 0.91 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1ADORA3ADORA2A | |
| SCHEMBL3127481 | 0.91 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1ADORA3ADORA2A | |
| SCHEMBL3127502 | 0.91 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1ADORA3ADORA2A | |
| SCHEMBL3133079 | 0.87 | MAPK1 (0.39) | MAPK1PTGER1POLB | |
| SCHEMBL3133083 | 0.87 | MAPK1 (0.39) | MAPK1PTGER1POLB |
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-1689721-B1 | AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS | PFIZER PROD INC (US) | 2010-07-14 | — | — | EP | claimed |
| EP-1689721-B1 | AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS | PFIZER PROD INC (US) | 2010-07-14 | — | — | EP | disclosed |