Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24832711 | 0.83 | ESR1 (0.45) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL17040388 | 0.83 | ESR1 (0.53) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL16959719 | 0.82 | ESR1 (0.47) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL14040983 | 0.80 | CES2 (0.56) | CES2CES1BCHEALBGAA | |
| SCHEMBL6862472 | 0.79 | CES2 (0.52) | CES2CES1BCHEACHEGAA | |
| SCHEMBL30820836 | 0.79 | CES2 (0.52) | CES2CES1BCHEACHEGAA | |
| SCHEMBL16956268 | 0.78 | ESR1 (0.45) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL16957213 | 0.78 | ESR1 (0.41) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL24832773 | 0.78 | ESR1 (0.41) | ESR1ESR2CES2CES1BCHE | |
| SCHEMBL7135408 | 0.77 | ESR1 (0.47) | ESR1ESR2CES2CES1BCHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4194452-A1 | AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG | Shanghai Zheye Biotechnology Co., Ltd. (CN) | 2023-06-14 | — | — | EP | disclosed |
| WO-2023099648-A1 | PYRAOLO- AND TRIAZOLO-AZINONE COMPOUNDS AND THEIR USES | ASTRAZENECA AB (SE) | 2023-06-08 | — | — | WO | disclosed |
| EP-4112606-A1 | AROMATIC COMPOUND AND USE THEREOF IN PREPARING ANTINEOPLASTIC DRUGS | Shanghai Zheye Biotechnology Co., Ltd. (CN) | 2023-01-04 | — | — | EP | disclosed |
| EP-3835290-A1 | OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR | Nihon Nohyaku Co., Ltd. (JP) | 2021-06-16 | — | — | EP | disclosed |
| WO-2008118849-A2 | HIV-1 PROTEASE INHIBITORS | UNIVERSITY OF MASSACHUSETTS (US) | 2008-10-02 | — | — | WO | disclosed |