Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.33 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | RB1 | P06400 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19904856 | 0.71 | HTR2A (0.43) | GPR3HTR2AHTR2CHSD17B10KDM4E | |
| SCHEMBL20714093 | 0.68 | GPR3 (0.39) | GPR3HTR2AHTR2CHSD17B10KDM4E | |
| SCHEMBL21730587 | 0.68 | MAOB (0.36) | GPR3HTR2AHTR2CKDM4EALKBH5 | |
| SCHEMBL21912916 | 0.67 | GPR3 (0.45) | GPR3HTR2AHTR2CHSD17B10KDM4E | |
| SCHEMBL21311148 | 0.67 | GPR3 (0.38) | GPR3HTR2AHTR2CHSD17B10KDM4E | |
| SCHEMBL25733101 | 0.66 | KDM4E (0.39) | KDM4ESIGMAR1 | |
| SCHEMBL23791217 | 0.62 | HTR2A (0.35) | GPR3HTR2AHTR2CHSD17B10KDM4E | |
| SCHEMBL13467528 | 0.62 | HTR2A (0.33) | GPR3HTR2AHTR2CHSD17B10KDM4E | |
| SCHEMBL20616992 | 0.61 | MEN1 (0.38) | GPR3HTR2AHTR2CHSD17B10KDM4E | |
| SCHEMBL14024612 | 0.61 | GPR3 (0.45) | GPR3HTR2AHTR2CHSD17B10KDM4E |
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-3617202-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2020-03-04 | — | — | EP | disclosed |