Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL13445703 | 1.00 | GPR3 (0.40) | GPR3ALDH1A1SMN1; SMN2TDP1CYP1A1 | |
| SCHEMBL6545120 | 0.78 | GPR3 (0.52) | GPR3ALDH1A1SMN1; SMN2TDP1MAPT | |
| SCHEMBL19721362 | 0.77 | HPGD (0.36) | ALDH1A1SMN1; SMN2HPGDRAB9ALMNA | |
| SCHEMBL16383563 | 0.74 | — | — | |
| SCHEMBL21102041 | 0.73 | GPR3 (0.35) | GPR3ALDH1A1CYP1A1CYP1A2CYP3A4 | |
| SCHEMBL19658343 | 0.72 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL17528782 | 0.71 | GPR3 (0.40) | GPR3ALDH1A1SMN1; SMN2TDP1MAPT | |
| SCHEMBL19721212 | 0.70 | GPR3 (0.43) | GPR3ALDH1A1SMN1; SMN2MAPTHPGD | |
| SCHEMBL278665 | 0.70 | GPR3 (0.43) | GPR3ALDH1A1SMN1; SMN2CYP1A1CYP1A2 | |
| SCHEMBL23799239 | 0.70 | GPR3 (0.39) | GPR3ALDH1A1SMN1; SMN2TDP1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3523273-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-11-24 | — | — | EP | disclosed |
| EP-3419960-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-07-01 | — | — | EP | disclosed |
| WO-2017144150-A2 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-08-31 | — | — | WO | disclosed |