Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.51 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28056343 | 0.84 | NR4A2 (0.45) | AKR1B1KDM4EMAPTALDH1A1POLB | |
| SCHEMBL11363825 | 0.73 | AKR1B1 (0.73) | AKR1B1KDM4EMAPTL3MBTL1THRB | |
| SCHEMBL30150695 | 0.70 | L3MBTL1 (0.40) | MAPTL3MBTL1CYP1A2THRBALDH1A1 | |
| SCHEMBL30449014 | 0.70 | AKR1B1 (1.00) | AKR1B1KDM4EMAPTL3MBTL1CYP1A2 | |
| SCHEMBL72309 | 0.70 | AKR1B1 (1.00) | AKR1B1KDM4EMAPTL3MBTL1CYP1A2 | |
| Hydrochloric Acid SCHEMBL8622012 | 0.68 | AKR1B1 (0.95) | AKR1B1KDM4EMAPTL3MBTL1THRB | |
| Ammonia Solution, Strong SCHEMBL10886656 | 0.68 | AKR1B1 (0.95) | AKR1B1KDM4EMAPTL3MBTL1CYP1A2 | |
| Phosphine SCHEMBL28850721 | 0.68 | AKR1B1 (0.95) | AKR1B1KDM4EMAPTL3MBTL1CYP1A2 | |
| SCHEMBL4284420 | 0.68 | AKR1B1 (0.95) | AKR1B1KDM4EMAPTL3MBTL1CYP1A2 | |
| SCHEMBL28714918 | 0.68 | AKR1B1 (0.95) | AKR1B1KDM4EMAPTL3MBTL1CYP1A2 |
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-105503877-A | Imidazopyridazine compound and application thereof | HUTCHISON MEDIPHARMA LTD | 2016-04-20 | — | — | CN | disclosed |