Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | CTRC | Q99895 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | PMM2 | O15305 | 1/20 | 0.31 |
| ▸ | MPI | P34949 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17383043 | 0.87 | CYP1B1 (0.33) | ALDH1A1MAPTRAB9ACYP1A1CYP1B1 | |
| SCHEMBL9851949 | 0.82 | ALDH1A1 (0.47) | KDM4EALDH1A1MAPTL3MBTL1NPC1 | |
| SCHEMBL13135138 | 0.78 | KDM4E (0.48) | KDM4EALDH1A1MAPTL3MBTL1NPC1 | |
| SCHEMBL22337134 | 0.78 | CYP1A1 (0.49) | ALDH1A1TDP1CYP1A1CYP1B1DHFR | |
| SCHEMBL2742086 | 0.76 | KDM4E (0.61) | KDM4EALDH1A1MAPTL3MBTL1NPC1 | |
| SCHEMBL22337262 | 0.74 | KDM4E (0.43) | KDM4EALDH1A1MAPTL3MBTL1NPC1 | |
| SCHEMBL2817197 | 0.73 | KDM4E (0.57) | KDM4EALDH1A1MAPTL3MBTL1NPC1 | |
| SCHEMBL13135145 | 0.73 | KDM4E (0.53) | KDM4EALDH1A1MAPTL3MBTL1NPC1 | |
| SCHEMBL13135146 | 0.73 | KDM4E (0.53) | KDM4EALDH1A1MAPTL3MBTL1NPC1 | |
| SCHEMBL3159827 | 0.73 | EGFR (0.45) | ALDH1A1MAPTTDP1LMNAPOLB |
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-2020162703-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-08-13 | — | — | WO | disclosed |