Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6762399 | 0.79 | AKR1B1 (0.55) | AKR1B1EGFRPOLBKDM4EMAPT | |
| SCHEMBL9580151 | 0.73 | AKR1B1 (0.52) | AKR1B1EGFRPOLBKDM4EMAPT | |
| SCHEMBL6181585 | 0.72 | THRB (0.37) | AKR1B1CA2PTGER1PTGER4PTGER3 | |
| SCHEMBL7771341 | 0.71 | AKR1B1 (0.43) | AKR1B1KDM4EMAPTGAALMNA | |
| SCHEMBL11023467 | 0.70 | MMP1 (0.49) | AKR1B1EGFRPOLBKDM4EMAPT | |
| SCHEMBL11051979 | 0.69 | AKR1B1 (0.41) | AKR1B1MAPTHPGDHSD17B10TSHR | |
| SCHEMBL30452045 | 0.68 | EGFR (0.70) | AKR1B1EGFRPOLBKDM4EMAPT | |
| SCHEMBL155333 | 0.68 | EGFR (0.70) | AKR1B1EGFRPOLBKDM4EMAPT | |
| SCHEMBL29354171 | 0.68 | EGFR (0.70) | AKR1B1EGFRPOLBKDM4EMAPT | |
| SCHEMBL2535192 | 0.68 | EGFR (0.70) | AKR1B1EGFRPOLBKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001087842-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | claimed |