Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 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 | |
|---|---|---|---|---|
| SCHEMBL9290961 | 0.82 | SRD5A2 (0.55) | CES2CES1PTPN1TSHRSRD5A2 | |
| Benzoin SCHEMBL343010 | 0.81 | CES2 (0.88) | CES2CES1LMNAALDH1A1KDM4E | |
| SCHEMBL336470 | 0.80 | SRD5A2 (0.61) | CES2CES1ALDH1A1TSHRSRD5A2 | |
| SCHEMBL17894698 | 0.80 | CES2 (0.63) | CES2CES1LMNAALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL8505603 | 0.79 | SRD5A2 (0.59) | CES2CES1ALDH1A1TSHRSRD5A2 | |
| Hydrochloric Acid SCHEMBL19837805 | 0.79 | SRD5A2 (0.59) | CES2CES1ALDH1A1TSHRSRD5A2 | |
| SCHEMBL5445265 | 0.76 | CES2 (0.83) | CES2CES1LMNAALDH1A1KDM4E | |
| SCHEMBL4331474 | 0.76 | ALDH1A1 (0.68) | CES2CES1LMNAALDH1A1KDM4E | |
| SCHEMBL9742053 | 0.76 | RXRA (0.59) | LMNAKDM4ETSHRHSD17B10SRD5A2 | |
| SCHEMBL5141309 | 0.76 | RXRA (0.59) | LMNAKDM4ETSHRHSD17B10SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4076734-A1 | COMPOSITE MATERIAL COMBINING MOF NANOPARTICLES AND METAL NANOPARTICLES | Centre national de la recherche scientifique (FR) | 2022-10-26 | — | — | EP | disclosed |