Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | CCR2 | P41597 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | F10 | P00742 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PLCG2 | P16885 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16627679 | 0.94 | NPC1 (0.58) | NPC1RAB9ACCR2SMN1; SMN2TP53 | |
| SCHEMBL16627655 | 0.94 | NPC1 (0.52) | NPC1RAB9ACCR2SMN1; SMN2MAPT | |
| SCHEMBL16627643 | 0.93 | NPC1 (0.51) | NPC1RAB9ACCR2SMN1; SMN2MAPT | |
| SCHEMBL16627636 | 0.93 | SMN1; SMN2 (0.51) | NPC1RAB9ACCR2SMN1; SMN2MAPT | |
| SCHEMBL16627577 | 0.92 | CNR1 (0.56) | NPC1RAB9ACCR2SMN1; SMN2TP53 | |
| SCHEMBL16627736 | 0.92 | NPC1 (0.50) | NPC1RAB9ACCR2SMN1; SMN2TP53 | |
| SCHEMBL16627653 | 0.92 | NPC1 (0.50) | NPC1RAB9ACCR2SMN1; SMN2F10 | |
| SCHEMBL16627637 | 0.90 | NPC1 (0.48) | NPC1RAB9ACCR2SMN1; SMN2MAPT | |
| SCHEMBL16627654 | 0.90 | NPC1 (0.48) | NPC1RAB9ACCR2SMN1; SMN2LMNA | |
| SCHEMBL16627684 | 0.89 | PLCG2 (0.48) | NPC1RAB9ACCR2SMN1; SMN2F10 |
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-2015050379-A1 | NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF | 광주과학기술원 | 2015-04-09 | — | — | WO | disclosed |