Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL13889162 | 0.73 | GPR3 (0.44) | GPR3KDM4EALDH1A1GAAHPGD | |
| SCHEMBL28347343 | 0.70 | GPR3 (0.42) | GPR3KDM4EALDH1A1GAAHPGD | |
| SCHEMBL18833313 | 0.67 | PDGFRB (0.40) | GPR3KDM4EALDH1A1GAAHPGD | |
| SCHEMBL18532111 | 0.61 | ALDH1A1 (0.35) | KDM4EALDH1A1GAAHPGDLMNA | |
| SCHEMBL21726126 | 0.61 | ALDH1A1 (0.35) | KDM4EALDH1A1GAAHPGDLMNA | |
| SCHEMBL5175484 | 0.60 | TTR (0.50) | KDM4EALDH1A1HPGDTTRCES1 | |
| SCHEMBL19854406 | 0.60 | ALDH1A1 (0.49) | GPR3KDM4EALDH1A1GAAHPGD | |
| SCHEMBL10346127 | 0.60 | ADRA2A (0.33) | GPR3TTRCES1EGFRLMNA | |
| SCHEMBL21250753 | 0.60 | PDGFRB (0.46) | GPR3KDM4EALDH1A1GAAHPGD | |
| SCHEMBL16328092 | 0.59 | GPR3 (0.42) | GPR3KDM4EALDH1A1GAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021116686-A1 | METHYL 2-ALLYL-1 -METHYL-3-OXOINDOLINE-2-CARBOXYLATE AND 9A-ALLYL-1,2,3,9A-TETRAHYDRO-9H-PYRROLO[1,2-A]INDOL-9-ONE DERIVATIVES AND RELATED COMPOUNDS FOR USE AS FLUORESCENT MARKERS FOR LABELLING OF DRUGS, AMINO ACIDS AN PROTEINS | UNIVERSITY OF LANCASTER (GB) | 2021-06-17 | — | — | WO | disclosed |