Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.45 |
| ▸ | TCF7L2 | Q9NQB0 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1502579 | 0.86 | KCNA5 (0.57) | DRD2TBXA2RCA1CA2PDE5A | |
| SCHEMBL3110419 | 0.83 | CCNE1 (0.52) | PDE5AAPPTP53ESR1JAK2 | |
| SCHEMBL3641178 | 0.80 | APP (0.68) | PDE5AAPPALDH1A1MAPTESR1 | |
| SCHEMBL3639802 | 0.79 | APP (0.52) | PDE5AAPPCTNNB1TCF7L2MAPT | |
| SCHEMBL7070989 | 0.77 | PDE4A (0.48) | DRD2TBXA2RCA1CA2ALDH1A1 | |
| SCHEMBL7254637 | 0.77 | CNR1 (0.58) | DRD2TBXA2RPDE5AAPPCTNNB1 | |
| SCHEMBL7254554 | 0.77 | CNR1 (0.56) | DRD2TBXA2RCA1CA2PDE5A | |
| SCHEMBL12170196 | 0.77 | KCNA5 (0.73) | JAK2IGF1RPIM1SRCCSNK2A2 | |
| SCHEMBL1063561 | 0.76 | CA1 (0.56) | DRD2TBXA2RCA1CA2ALDH1A1 | |
| SCHEMBL7068349 | 0.74 | CA1 (0.48) | DRD2TBXA2RCA1CA2ALDH1A1 |
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-2003055866-A1 | QUINAZOLINE AND QUINOLINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-10 | — | — | WO | disclosed |