Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | BCR | P11274 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5065334 | 0.79 | PDPK1 (0.43) | PDPK1CYP2A6ADRA1AADRA1DADRA1B | |
| SCHEMBL9408188 | 0.76 | PDPK1 (0.43) | PDPK1CYP2A6ADRA1AADRA1DADRA1B | |
| SCHEMBL7110942 | 0.76 | PDPK1 (0.40) | PDPK1CYP2A6ADRA1AADRA1DADRA1B | |
| SCHEMBL27812190 | 0.76 | PDPK1 (0.40) | PDPK1CYP2A6ADRA1AADRA1DADRA1B | |
| SCHEMBL5692672 | 0.75 | PDPK1 (0.64) | PDPK1CYP2A6ADRA1AADRA1DADRA1B | |
| SCHEMBL5327036 | 0.74 | PDPK1 (0.53) | PDPK1CYP2A6ADRA1AADRA1DADRA1B | |
| SCHEMBL1951149 | 0.73 | PDPK1 (0.61) | PDPK1CYP2A6ADRA1AADRA1DADRA1B | |
| SCHEMBL27812277 | 0.72 | PDPK1 (0.37) | PDPK1CYP2A6ADRA1AADRA1DADRA1B | |
| SCHEMBL5584043 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL15636754 | 0.72 | CDC25B (0.33) | ABL1 |
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-0968194-A1 | ATROPISOMERS OF 3-ARYL-4(3H)-QUINAZOLINONES AND THEIR USE AS AMPA-RECEPTOR ANTAGONISTS | Pfizer Products Inc. (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998038173-A1 | ATROPISOMERS OF 3-ARYL-4(3H)-QUINAZOLINONES AND THEIR USE AS AMPA-RECEPTOR ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 1998-09-03 | — | — | WO | disclosed |