Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 3/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.39 |
| ▸ | GUSB | P08236 | 3/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28458246 | 0.87 | SCD (0.39) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL7146757 | 0.80 | NPC1 (0.55) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL27761849 | 0.78 | NPC1 (0.56) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| Water SCHEMBL28237887 | 0.77 | NPC1 (0.55) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28473608 | 0.77 | NPC1 (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL230980 | 0.75 | NPC1 (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL30872095 | 0.75 | NPC1 (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL8202622 | 0.75 | MEN1 (0.47) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL6368201 | 0.74 | NPC1 (0.55) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL5987885 | 0.73 | MCL1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 |
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-108059615-B | Organic material and application thereof in organic electroluminescent device | 北京燕化集联光电技术有限公司 | 2020-09-15 | — | — | CN | disclosed |