Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | CASP7 | P55210 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13183899 | 0.76 | — | — | |
| SCHEMBL28226413 | 0.74 | ESR1 (0.35) | SMN1; SMN2SLC6A2 | |
| SCHEMBL13162296 | 0.73 | — | — | |
| SCHEMBL27290640 | 0.72 | CNR1 (0.30) | — | |
| SCHEMBL22293412 | 0.71 | GPR3 (0.35) | TDP1POLBMAPTKMT2A | |
| SCHEMBL24594230 | 0.70 | ACHE (0.33) | KDM4EALDH1A1ACHETDP1MAPT | |
| SCHEMBL22293410 | 0.70 | GPR3 (0.38) | KDM4EALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL21587180 | 0.70 | ALDH1A1 (0.40) | ALDH1A1HPGDSMN1; SMN2TDP1RAB9A | |
| SCHEMBL15506223 | 0.70 | ALDH1A1 (0.36) | KDM4EALDH1A1HPGDSMN1; SMN2RAB9A | |
| SCHEMBL22993224 | 0.70 | ACP1 (0.36) | — |
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-3147286-B1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2019-04-03 | — | — | EP | disclosed |