Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.75 |
| ▸ | RAB9A | P51151 | 2/20 | 0.75 |
| ▸ | POLB | P06746 | 1/20 | 0.75 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.70 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.66 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.66 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.66 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.66 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.60 |
| ▸ | QPCT | Q16769 | 1/20 | 0.55 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.53 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.53 |
| ▸ | PI4KA | P42356 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21264426 | 1.00 | NPC1 (0.75) | NPC1RAB9APOLBCYP2A6CYP11B1 | |
| SCHEMBL23543013 | 0.87 | CYP2A6 (0.58) | NPC1RAB9APOLBCYP2A6CYP11B1 | |
| SCHEMBL30743 | 0.87 | NPC1 (1.00) | NPC1RAB9APOLBCYP2A6DYRK1A | |
| SCHEMBL29757180 | 0.87 | NPC1 (1.00) | NPC1RAB9APOLBCYP2A6DYRK1A | |
| SCHEMBL23543024 | 0.86 | CYP2A6 (0.61) | NPC1RAB9APOLBCYP2A6CYP11B1 | |
| SCHEMBL19297863 | 0.86 | NPC1 (0.75) | NPC1RAB9APOLBCYP2A6CYP11B1 | |
| SCHEMBL23467163 | 0.86 | CYP11B1 (0.66) | NPC1RAB9APOLBCYP2A6CYP11B1 | |
| SCHEMBL443618 | 0.83 | NPC1 (0.84) | NPC1RAB9APOLBCYP2A6CYP11B1 | |
| SCHEMBL30592751 | 0.83 | NPC1 (0.84) | NPC1RAB9APOLBCYP2A6CYP11B1 | |
| SCHEMBL12075055 | 0.83 | NPC1 (0.84) | NPC1RAB9APOLBCYP2A6CYP11B1 |
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-116745291-A | N- (2- (4-cyanothiazolidin-3-yl) -2-oxoethyl) -quinoline-4-carboxamide | 阿斯利康(瑞典)有限公司 | 2023-09-12 | — | — | CN | disclosed |