Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.49 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.49 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31346667 | 1.00 | AKR1B1 (0.52) | AKR1B1HMGB1DUSP3PTPN5PTPN11 | |
| SCHEMBL19900571 | 0.85 | HMGB1 (0.68) | AKR1B1HMGB1DUSP3PTPN5PTPN11 | |
| SCHEMBL8117424 | 0.82 | GABRA1 (0.64) | HMGB1KDM4EMEN1POLBKMT2A | |
| SCHEMBL6555816 | 0.82 | BCAT2 (0.62) | AKR1B1BCAT2TDP1KDM4EMEN1 | |
| SCHEMBL7937087 | 0.82 | AKR1B1 (0.67) | AKR1B1HMGB1DUSP3PTPN5PTPN11 | |
| SCHEMBL11347621 | 0.81 | GABRA1 (0.45) | HMGB1TDP1KDM4EMEN1POLB | |
| SCHEMBL23375468 | 0.80 | BCAT2 (0.47) | AKR1B1DUSP3PTPN5PTPN11CTDSP1 | |
| SCHEMBL1560171 | 0.80 | HMGB1 (0.57) | HMGB1KDM4EKMT2AALDH1A1HPGD | |
| SCHEMBL14660846 | 0.80 | BCAT2 (0.47) | AKR1B1DUSP3PTPN5PTPN11CTDSP1 | |
| SCHEMBL28164371 | 0.80 | ABCB11 (0.59) | AKR1B1BCAT2TDP1PTGS2ABCB11 |
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-104945281-A | Flavone acetic acid derivative, pharmaceutical composition thereof, preparation method and application thereof | INST PHARM & TOXICOLOGY AMMS | 2015-09-30 | — | — | CN | disclosed |