Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2620518 | 0.90 | CA1 (0.56) | ESR1ESR2CA1CA2CA4 | |
| SCHEMBL3873734 | 0.80 | TRPA1 (0.54) | ALOX15GAATRPA1MAPTMEN1 | |
| SCHEMBL29494159 | 0.80 | TRPA1 (0.54) | ALOX15GAATRPA1MAPTMEN1 | |
| SCHEMBL14549314 | 0.79 | ESR1 (0.83) | ESR1ESR2CA1CA2CA4 | |
| SCHEMBL24818716 | 0.79 | ADRA2B (0.44) | ESR1ESR2CA1CA2CA4 | |
| SCHEMBL13754317 | 0.79 | TRPA1 (0.59) | ESR1ESR2CA1CA2CA4 | |
| SCHEMBL19681892 | 0.78 | CYP3A4 (0.38) | ESR1ESR2SRD5A2MAPTKDM4E | |
| SCHEMBL14899803 | 0.77 | ADRA2A (0.42) | ESR1ESR2CA1CA2CA4 | |
| SCHEMBL22663983 | 0.76 | CA1 (0.47) | ESR1ESR2CA1CA2CA4 | |
| SCHEMBL20132138 | 0.76 | ALDH1A1 (0.61) | ESR1ESR2CA1CA2CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3901162-A1 | GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF | AbbVie Inc. (US) | 2021-10-27 | — | — | EP | disclosed |
| WO-2017207776-A1 | SYSTEM FOR DISPENSING A COSMETIC PRODUCT | L'OREAL (FR) | 2017-12-07 | — | — | WO | disclosed |