Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 5/20 | 0.41 |
| ▸ | MMP8 | P22894 | 5/20 | 0.41 |
| ▸ | MMP12 | P39900 | 5/20 | 0.41 |
| ▸ | MMP13 | P45452 | 5/20 | 0.41 |
| ▸ | MMP14 | P50281 | 5/20 | 0.41 |
| ▸ | MMP16 | P51512 | 5/20 | 0.41 |
| ▸ | MMP9 | P14780 | 4/20 | 0.41 |
| ▸ | MMP3 | P08254 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10093721 | 0.91 | ESR1 (0.46) | ESR1ESR2PKMHTTSMN1; SMN2 | |
| SCHEMBL12267815 | 0.91 | ESR1 (0.46) | ESR1ESR2PKMHTTSMN1; SMN2 | |
| SCHEMBL25986540 | 0.86 | ESR1 (0.60) | ESR1ESR2HTTGAALTA4H | |
| SCHEMBL10112921 | 0.85 | ESR1 (0.49) | ESR1ESR2HTTSMN1; SMN2MMP2 | |
| SCHEMBL10000525 | 0.82 | ESR1 (0.66) | ESR1ESR2HTTGAAMAPT | |
| SCHEMBL16771201 | 0.81 | ESR1 (0.61) | ESR1ESR2PKMHTTSMN1; SMN2 | |
| SCHEMBL17081749 | 0.79 | ESR1 (0.50) | ESR1ESR2HTTSMN1; SMN2GAA | |
| SCHEMBL23430832 | 0.79 | ESR1 (0.57) | ESR1ESR2PKMHTTSMN1; SMN2 | |
| SCHEMBL18801568 | 0.79 | ESR1 (0.43) | ESR1ESR2HTTSMN1; SMN2MMP13 | |
| SCHEMBL23969898 | 0.78 | ESR1 (0.52) | ESR1ESR2HTTSMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-9975994-B2 | Desalination of polyaryl ethers by means of melt extraction | BASF SE (DE) | 2018-05-22 | — | — | US | disclosed |