Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.51 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.51 |
| ▸ | CHRNG | P07510 | 2/20 | 0.51 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.51 |
| ▸ | CHRND | Q07001 | 2/20 | 0.51 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1093383 | 0.81 | SLC6A2 (0.56) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL15007460 | 0.81 | SLC6A2 (0.53) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL20809637 | 0.81 | SLC6A2 (0.56) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL2599163 | 0.81 | SLC6A2 (0.53) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL9559781 | 0.81 | PARP1 (0.55) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL3851904 | 0.81 | SLC6A2 (0.59) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL3852863 | 0.81 | SLC6A2 (0.59) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL9041221 | 0.81 | SLC6A2 (0.59) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL633919 | 0.80 | SLC6A2 (0.51) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL2290370 | 0.80 | SLC6A2 (0.51) | PARP1SLC6A2SLC6A3CHRNA1CHRNG |
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-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |