Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.55 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6257294 | 0.84 | BCAT2 (0.53) | PARP1BCAT2NPC1RAB9AIKBKB | |
| SCHEMBL31531876 | 0.84 | BCAT2 (0.53) | PARP1BCAT2NPC1RAB9AIKBKB | |
| SCHEMBL15903518 | 0.80 | RAB9A (0.52) | PARP1BCAT2NPC1RAB9AIKBKB | |
| SCHEMBL2025737 | 0.77 | BCAT2 (0.71) | PARP1BCAT2NPC1RAB9AKEAP1 | |
| SCHEMBL5106250 | 0.76 | RAB9A (0.62) | NPC1RAB9APTGS2MEN1KMT2A | |
| SCHEMBL8830688 | 0.76 | RAB9A (0.55) | PARP1NPC1RAB9APTGS2MEN1 | |
| Hydrochloric Acid SCHEMBL27966297 | 0.76 | BCAT2 (0.69) | PARP1BCAT2NPC1RAB9AKEAP1 | |
| Bromide SCHEMBL20502171 | 0.75 | RAB9A (0.50) | NPC1RAB9AHCRTR1PTGS2MEN1 | |
| SCHEMBL3800586 | 0.74 | IKBKB (0.39) | PARP1BCAT2NPC1RAB9AIKBKB | |
| SCHEMBL28129138 | 0.74 | RAB9A (0.56) | NPC1RAB9AHCRTR1PTGS2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103664876-B | Quinoline derivatives and uses thereof | SUZHOU SOUTHEAST PHARMACEUTICALS CO., LTD. (CN) | 2016-04-20 | — | — | CN | disclosed |