Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.41 |
| ▸ | ENPEP | Q07075 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.33 |
| ▸ | CPN1 | P15169 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8721546 | 0.93 | — | — | |
| SCHEMBL197121 | 0.93 | — | — | |
| SCHEMBL197122 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL9807456 | 0.91 | PTGS1 (0.39) | PTGS1SLC7A11ENPEPKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL8945317 | 0.91 | PTGS1 (0.39) | PTGS1SLC7A11ENPEPKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL9807458 | 0.91 | PTGS1 (0.39) | PTGS1SLC7A11ENPEPKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL8945311 | 0.91 | PTGS1 (0.39) | PTGS1SLC7A11ENPEPKDM4EMAPT | |
| SCHEMBL29094786 | 0.80 | PTGS1 (0.39) | PTGS1SLC7A11ENPEPKDM4EMAPT | |
| Dl-Penicillamine SCHEMBL4294915 | 0.79 | PTGS1 (0.62) | PTGS1SLC7A11ENPEPMAPTCPB2 | |
| Dl-Penicillamine SCHEMBL2988324 | 0.79 | PTGS1 (0.62) | PTGS1SLC7A11ENPEPMAPTCPB2 |
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-4087580-A1 | TARGETED STEROID COMPOUNDS | Purdue Research Foundation (US) | 2022-11-16 | — | — | EP | disclosed |