Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | APAF1 | O14727 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | NSD2 | O96028 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.58 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.58 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.58 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10723578 | 0.96 | ALDH1A1 (0.63) | ALDH1A1POLBAPAF1NPC1NSD2 | |
| SCHEMBL6980898 | 0.80 | TAAR1 (0.60) | ALDH1A1POLBAPAF1NPC1NSD2 | |
| SCHEMBL26794368 | 0.78 | POLB (0.58) | ALDH1A1POLBAPAF1NPC1NSD2 | |
| SCHEMBL1553903 | 0.78 | ADORA2A (0.60) | ALDH1A1POLBADORA2AADORA1ADORA2B | |
| SCHEMBL1554000 | 0.77 | MAPT (0.58) | ALDH1A1POLBADORA2AADORA1ADORA2B | |
| SCHEMBL5017694 | 0.76 | ADORA2A (0.56) | ALDH1A1POLBAPAF1NPC1NSD2 | |
| SCHEMBL7070801 | 0.75 | ADORA2A (0.44) | ALDH1A1POLBAPAF1NPC1NSD2 | |
| SCHEMBL1490054 | 0.74 | POLB (0.58) | ALDH1A1POLBAPAF1NPC1NSD2 | |
| SCHEMBL13528571 | 0.74 | NPC1 (1.00) | ALDH1A1POLBAPAF1NPC1NSD2 | |
| SCHEMBL17269506 | 0.74 | POLB (0.52) | ALDH1A1POLBAPAF1NPC1NSD2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999011633-A1 | TRIAZINES WITH AN ADENOSINE ANTAGONISTIC EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-03-11 | — | — | WO | disclosed |