Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30475752 | 0.86 | ADORA2A (0.53) | SRCKDM4EADORA2AADORA1ALDH1A1 | |
| SCHEMBL28079530 | 0.81 | ADORA2A (0.62) | KDM4EADORA2AADORA1ALDH1A1GAA | |
| SCHEMBL22186466 | 0.79 | ESR1 (0.55) | SRCKDM4EADORA2AADORA1ALDH1A1 | |
| SCHEMBL29215313 | 0.79 | KDM4E (0.56) | KDM4EALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL384076 | 0.78 | KDM4E (0.61) | KDM4EADORA2AADORA1ALDH1A1MAPT | |
| SCHEMBL19816496 | 0.78 | KDM4E (0.63) | SRCKDM4EADORA2AADORA1ALDH1A1 | |
| SCHEMBL25841451 | 0.78 | CYP17A1 (0.44) | SRCKDM4EADORA2AADORA1ALDH1A1 | |
| SCHEMBL19169354 | 0.78 | CYP1A2 (0.49) | SRCKDM4EADORA2AADORA1ALDH1A1 | |
| SCHEMBL29995528 | 0.78 | KDM4E (0.63) | SRCKDM4EADORA2AADORA1ALDH1A1 | |
| SCHEMBL976510 | 0.76 | ADORA2A (0.71) | SRCKDM4EADORA2AADORA1ALDH1A1 |
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-2021135181-A1 | NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2021-07-08 | — | — | WO | disclosed |