Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ACP3 | P15309 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL10295958 | 0.84 | SIGMAR1 (0.36) | SIGMAR1SLC6A4SLC6A2ACP3ALDH1A1 | |
| SCHEMBL21958560 | 0.84 | SIGMAR1 (0.36) | SIGMAR1SLC6A4SLC6A2ACP3ALDH1A1 | |
| SCHEMBL25992236 | 0.84 | SIGMAR1 (0.36) | SIGMAR1SLC6A4SLC6A2ACP3ALDH1A1 | |
| SCHEMBL12083817 | 0.84 | SIGMAR1 (0.36) | SIGMAR1SLC6A4SLC6A2ACP3ALDH1A1 | |
| SCHEMBL13339022 | 0.82 | SIGMAR1 (0.41) | SIGMAR1SLC6A4SLC6A2ALDH1A1CYP1A2 | |
| SCHEMBL18899208 | 0.82 | ACP3 (0.42) | SIGMAR1SLC6A4ACP3ALDH1A1CYP1A2 | |
| SCHEMBL13721563 | 0.81 | SIGMAR1 (0.38) | SIGMAR1SLC6A4SLC6A2ALDH1A1CYP1A2 | |
| SCHEMBL13175233 | 0.81 | SIGMAR1 (0.40) | SIGMAR1SLC6A4SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL2201483 | 0.80 | SLC6A4 (0.49) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14018349 | 0.80 | SIGMAR1 (0.45) | SIGMAR1ALDH1A1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3327024-B1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2019-07-17 | — | — | EP | disclosed |