Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17343990 | 0.81 | NPC1 (0.62) | NPC1POLBRAB9AAKR1C3AKR1C2 | |
| SCHEMBL2508673 | 0.81 | GSTP1 (0.47) | AKR1C3AKR1C2CYP3A4ERN1 | |
| SCHEMBL29710463 | 0.81 | GSTP1 (0.47) | AKR1C3AKR1C2CYP3A4ERN1 | |
| SCHEMBL4632539 | 0.79 | POLB (0.65) | NPC1POLBRAB9ADYRK1AGRM4 | |
| SCHEMBL7913699 | 0.78 | NPC1 (0.62) | NPC1POLBRAB9ADYRK1AGRM4 | |
| SCHEMBL17320761 | 0.76 | POLB (0.56) | NPC1POLBRAB9AAKR1C3AKR1C2 | |
| SCHEMBL22135313 | 0.74 | NPC1 (0.57) | NPC1POLBRAB9AAKR1C3AKR1C2 | |
| SCHEMBL22135274 | 0.74 | NPC1 (0.53) | NPC1POLBRAB9AAKR1C3AKR1C2 | |
| SCHEMBL27659350 | 0.73 | NPC1 (0.65) | NPC1POLBRAB9AAKR1C3AKR1C2 | |
| SCHEMBL30743 | 0.73 | NPC1 (1.00) | NPC1POLBRAB9ADYRK1AGRM4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112538056-B | Electron transport material and organic electroluminescent device containing same | 南京高光半导体材料有限公司 | 2022-06-28 | — | — | CN | disclosed |
| CN-112538056-A | Electron transport material and organic electroluminescent device containing same | 南京高光半导体材料有限公司 | 2021-03-23 | — | — | CN | disclosed |