Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | POLB | P06746 | 10/20 | 0.69 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.69 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.69 |
| ▸ | PKM | P14618 | 7/20 | 0.69 |
| ▸ | HPGD | P15428 | 6/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL30544598 | 0.89 | ALDH1A1 (0.58) | NPC1RAB9APOLBCACNA1BAPBA1 | |
| SCHEMBL30544610 | 0.88 | NPC1 (0.70) | NPC1RAB9APOLBCACNA1BAPBA1 | |
| SCHEMBL30544607 | 0.88 | NPC1 (0.75) | NPC1RAB9APOLBCACNA1BAPBA1 | |
| SCHEMBL30544648 | 0.86 | RAB9A (0.76) | NPC1RAB9APOLBCACNA1BAPBA1 | |
| SCHEMBL30544579 | 0.85 | NPC1 (0.67) | NPC1RAB9APOLBCACNA1BAPBA1 | |
| SCHEMBL14970916 | 0.85 | L3MBTL1 (0.75) | NPC1RAB9APOLBCACNA1BAPBA1 | |
| SCHEMBL30544634 | 0.85 | NPC1 (0.71) | NPC1RAB9APOLBCACNA1BAPBA1 | |
| SCHEMBL29082938 | 0.85 | NPC1 (0.71) | NPC1RAB9APOLBCACNA1BAPBA1 | |
| SCHEMBL30544639 | 0.85 | L3MBTL1 (0.73) | NPC1RAB9APOLBCACNA1BAPBA1 | |
| SCHEMBL30544635 | 0.83 | RAB9A (0.69) | NPC1RAB9APOLBCACNA1BAPBA1 |
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-116655607-A | Polysubstituted quinoline compounds and application thereof | 中国医学科学院医药生物技术研究所 | 2023-08-29 | — | — | CN | disclosed |