Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL156755 | 0.98 | EGFR (0.80) | EGFRALDH1A1PIK3CDPIK3CANPC1 | |
| Quinoline SCHEMBL27927382 | 0.96 | EGFR (0.77) | EGFRALDH1A1PIK3CDPIK3CANPC1 | |
| Isoquinoline SCHEMBL27889185 | 0.93 | EGFR (0.67) | EGFRALDH1A1PIK3CDPIK3CANPC1 | |
| Quinoline SCHEMBL27710462 | 0.93 | EGFR (0.71) | EGFRALDH1A1PIK3CDPIK3CANPC1 | |
| Quinoxaline SCHEMBL150387 | 0.88 | EGFR (0.83) | EGFRALDH1A1PIK3CDPIK3CANPC1 | |
| Quinazoline SCHEMBL22833783 | 0.88 | EGFR (1.00) | EGFRALDH1A1PIK3CDPIK3CACYP2A6 | |
| Quinazoline SCHEMBL29490398 | 0.88 | EGFR (1.00) | EGFRALDH1A1PIK3CDPIK3CACYP2A6 | |
| Quinazoline SCHEMBL29356169 | 0.88 | EGFR (1.00) | EGFRALDH1A1PIK3CDPIK3CACYP2A6 | |
| Quinazoline SCHEMBL5920 | 0.88 | EGFR (1.00) | EGFRALDH1A1PIK3CDPIK3CACYP2A6 | |
| Quinazoline SCHEMBL28109843 | 0.86 | EGFR (0.87) | EGFRALDH1A1PIK3CDPIK3CANPC1 |
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-1077944-A1 | CARBOXAMIDE COMPOUNDS, COMPOSITIONS, AND METHODS FOR INHIBITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059973-A1 | CARBOXAMIDE COMPOUNDS, COMPOSITIONS, AND METHODS FOR INHIBITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |