Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 5/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.42 |
| ▸ | BCR | P11274 | 5/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13626931 | 0.95 | ABL1 (0.42) | ABL1ABCB1BCRFGFR1NPC1 | |
| SCHEMBL13626925 | 0.85 | ABL1 (0.40) | ABL1ABCB1BCRFGFR1NPC1 | |
| SCHEMBL1126107 | 0.84 | FGFR1 (0.39) | ABL1ABCB1BCRFGFR1NPC1 | |
| SCHEMBL1126222 | 0.81 | FGFR1 (0.39) | ABL1ABCB1BCRFGFR1NPC1 | |
| SCHEMBL1126072 | 0.81 | CYP11B1 (0.39) | ABL1ABCB1BCRFGFR1NPC1 | |
| SCHEMBL13626554 | 0.80 | ABL1 (0.45) | ABL1ABCB1BCRNPC1RAB9A | |
| SCHEMBL13626928 | 0.80 | ABL1 (0.40) | ABL1ABCB1BCRFGFR1NPC1 | |
| SCHEMBL14212775 | 0.77 | MAOB (0.37) | ABL1ABCB1BCRFGFR1NPC1 | |
| SCHEMBL14212774 | 0.74 | MAOB (0.37) | ABL1ABCB1BCRFGFR1NPC1 | |
| SCHEMBL14212770 | 0.74 | CYP11B1 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-2009141386-A1 | DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-11-26 | — | — | WO | disclosed |