Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.63 |
| ▸ | DHODH | Q02127 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL51774 | 1.00 | AKR1C3 (0.63) | AKR1C3DHODHRELAKDM4EALDH1A1 | |
| SCHEMBL122093 | 1.00 | AKR1C3 (0.63) | AKR1C3DHODHRELAKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL27571578 | 0.98 | AKR1C3 (0.61) | AKR1C3DHODHRELAKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6780341 | 0.98 | AKR1C3 (0.61) | AKR1C3DHODHRELAKDM4EALDH1A1 | |
| SCHEMBL1995939 | 0.95 | AKR1C3 (0.61) | AKR1C3DHODHRELAKDM4EALDH1A1 | |
| SCHEMBL8746638 | 0.93 | AKR1C3 (0.61) | AKR1C3DHODH | |
| SCHEMBL8746625 | 0.91 | AKR1C3 (0.59) | AKR1C3DHODH | |
| SCHEMBL625698 | 0.89 | ESR1 (0.53) | AKR1C3DHODHRELAPTPN1 | |
| SCHEMBL625699 | 0.87 | AKR1C3 (0.49) | AKR1C3DHODHKDM4EALDH1A1PTPN1 | |
| SCHEMBL17310565 | 0.87 | AKR1C3 (0.56) | AKR1C3DHODHKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110357789-B | N-substituted acrylamide derivative as DHODH inhibitor and preparation and application thereof | 华东理工大学 | 2022-09-30 | — | — | CN | disclosed |