Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24477061 | 0.89 | ESR1 (0.54) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL8027341 | 0.87 | RAB9A (0.60) | PTGS2AOC3KCNH2NPC1RAB9A | |
| SCHEMBL8931017 | 0.85 | MAPK10 (0.44) | AOC3NPC1RAB9AKDM4ELMNA | |
| SCHEMBL3741438 | 0.84 | PTGS2 (0.53) | PTGS2AOC3KCNH2NPC1RAB9A | |
| SCHEMBL8022202 | 0.83 | PTGS2 (0.69) | PTGS2AOC3KCNH2NPC1RAB9A | |
| SCHEMBL20776032 | 0.82 | NPC1 (0.54) | PTGS2AOC3KCNH2NPC1RAB9A | |
| SCHEMBL23024881 | 0.82 | RAB9A (0.66) | PTGS2AOC3KCNH2NPC1RAB9A | |
| SCHEMBL2323575 | 0.82 | ESR1 (0.58) | PTGS2AOC3KCNH2NPC1RAB9A | |
| SCHEMBL2330775 | 0.81 | GLA (0.57) | PTGS2AOC3KCNH2NPC1RAB9A | |
| SCHEMBL29023856 | 0.81 | KDM4E (0.47) | PTGS2AOC3KCNH2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-20210328149-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE | SAMSUNG SDI CO., LTD. (KR) | 2021-10-21 | — | — | US | disclosed |