Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.45 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
| ▸ | HTR2B | P41595 | 3/20 | 0.41 |
| ▸ | DRD1 | P21728 | 6/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | DRD5 | P21918 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31121185 | 1.00 | ESR1 (0.45) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL30012797 | 0.91 | HTR2A (0.47) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL1095022 | 0.91 | ESR1 (0.45) | ESR1ESR2DRD1DRD2DRD5 | |
| SCHEMBL1094863 | 0.91 | HTR2A (0.47) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL4938554 | 0.90 | ESR1 (0.41) | ESR1ESR2DRD1DRD2DRD5 | |
| SCHEMBL1094406 | 0.88 | HTR2A (0.48) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL31121204 | 0.85 | ESR1 (0.49) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL3282297 | 0.85 | ESR1 (0.49) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL3282323 | 0.85 | ESR1 (0.49) | ESR1ESR2HTR2AHTR2CHTR2B | |
| SCHEMBL1095555 | 0.85 | ESR1 (0.49) | ESR1ESR2HTR2AHTR2CHTR2B |
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-2021158626-A1 | ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF | Eternity Bioscience Inc. (US) | 2021-08-12 | — | — | WO | disclosed |