Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 5/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.37 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.37 |
| ▸ | CPT1A | P50416 | 1/20 | 0.37 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3520472 | 1.00 | SPHK2 (0.43) | SPHK2IP6K1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL4924585 | 0.87 | ALDH1A1 (0.36) | CPT1ACPT1BCHRNB4CHRNA3 | |
| SCHEMBL3428136 | 0.86 | F2RL3 (0.38) | CHRNB4CHRNA3 | |
| SCHEMBL2797321 | 0.85 | CPT1A (0.36) | ABHD6DAGLACPT1ACPT1B | |
| SCHEMBL2799815 | 0.84 | DAGLB (0.39) | CPT1ACPT1B | |
| SCHEMBL3523231 | 0.83 | SPHK2 (0.44) | SPHK2CHRNB2CHRNA7CHRNA4CHRNA5 | |
| SCHEMBL3275718 | 0.80 | IP6K1 (0.61) | IP6K1 | |
| SCHEMBL29717416 | 0.80 | IP6K1 (0.61) | IP6K1 | |
| SCHEMBL4618217 | 0.79 | FAAH (0.45) | SPHK2SPHK1 | |
| SCHEMBL3429735 | 0.78 | CHRNB2 (0.38) | SPHK2CHRNB2CHRNA7CHRNA4CHRNA5 |
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-1622620-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER | AstraZeneca AB (SE) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004096226-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2004-11-11 | — | — | WO | disclosed |