Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18159806 | 0.78 | RARA (0.40) | AKR1B1MAP3K14ITGB2ICAM1ITGAL | |
| SCHEMBL10759714 | 0.78 | KMT2A (0.39) | AKR1B1MAP3K14TDP1ITGB2ICAM1 | |
| SCHEMBL5399703 | 0.78 | MAP3K14 (0.49) | AKR1B1MAP3K14 | |
| SCHEMBL6578141 | 0.78 | AKR1B1 (0.44) | AKR1B1MAP3K14GAAALDH1A1SMN1; SMN2 | |
| SCHEMBL6605552 | 0.78 | MAP3K14 (0.49) | AKR1B1MAP3K14 | |
| SCHEMBL6578015 | 0.78 | AKR1B1 (0.64) | AKR1B1MAPT | |
| SCHEMBL6605548 | 0.78 | MAP3K14 (0.49) | AKR1B1MAP3K14 | |
| SCHEMBL28843916 | 0.76 | MAP3K14 (0.44) | AKR1B1MAP3K14GAAKMT2ASMN1; SMN2 | |
| SCHEMBL29579029 | 0.74 | AKR1B1 (0.47) | AKR1B1GAAALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL167946 | 0.74 | AKR1B1 (0.47) | AKR1B1GAAALDH1A1KMT2ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104327029-A | Preparation method of oxygen-containing heterocyclic compound | Hunan huateng pharmaceutical co ltd | 2015-02-04 | — | — | CN | claimed |
| CN-104327029-A | Preparation method of oxygen-containing heterocyclic compound | Hunan huateng pharmaceutical co ltd | 2015-02-04 | — | — | CN | disclosed |