Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL10886960 | 1.00 | AKR1C3 (0.45) | AKR1C3NQO2RELAPTGS1KDM4E | |
| SCHEMBL11045397 | 0.77 | ALDH1A1 (0.50) | AKR1C3KDM4EALDH1A1MAPT | |
| SCHEMBL11045401 | 0.77 | ALDH1A1 (0.50) | AKR1C3KDM4EALDH1A1MAPT | |
| SCHEMBL28029975 | 0.77 | AKR1C3 (0.44) | AKR1C3NQO2RELAPTGS1ALDH1A1 | |
| SCHEMBL11040968 | 0.77 | NR1I2 (0.46) | AKR1C3NQO2RELAPTGS1KDM4E | |
| SCHEMBL11204468 | 0.75 | FBP1 (0.45) | AKR1C3RELAKDM4EALDH1A1GRIN2D | |
| SCHEMBL11041662 | 0.75 | FBP1 (0.45) | AKR1C3RELAKDM4EALDH1A1GRIN2D | |
| SCHEMBL10883239 | 0.75 | FBP1 (0.45) | AKR1C3RELAKDM4EALDH1A1GRIN2D | |
| SCHEMBL10881234 | 0.75 | MEN1 (0.44) | AKR1C3ALDH1A1L3MBTL1MAPT | |
| SCHEMBL11045919 | 0.75 | CYP2A6 (0.39) | AKR1C3RELAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4473560-A | Diphosphonic acid derivatives and pharmaceutical preparations containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1984-09-25 | — | — | US | disclosed |