Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22368460 | 0.85 | POLB (0.35) | AKR1B1NPC1MEN1KMT2AADRB2 | |
| SCHEMBL17974169 | 0.71 | HTT (0.32) | AKR1B1HTT | |
| SCHEMBL8607562 | 0.70 | CYP2C19 (0.37) | AKR1B1THRBTDP1NPC1MEN1 | |
| SCHEMBL523847 | 0.69 | ALOX5 (0.41) | AKR1B1THRBTDP1CYP2C9 | |
| Bromide SCHEMBL27743790 | 0.68 | ALOX5 (0.40) | AKR1B1THRBTDP1CYP2C9 | |
| SCHEMBL22368459 | 0.68 | HTR2A (0.41) | — | |
| SCHEMBL8051377 | 0.68 | CYP2C19 (0.36) | AKR1B1THRBTDP1NPC1MEN1 | |
| SCHEMBL7172154 | 0.67 | THRB (0.45) | AKR1B1THRBTDP1NPC1MEN1 | |
| Bromomethane SCHEMBL208551 | 0.67 | ALOX5 (0.39) | AKR1B1THRBTDP1CYP2C9 | |
| SCHEMBL5886685 | 0.67 | THRB (0.38) | AKR1B1THRBTDP1NPC1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3253755-B1 | NOVEL CYCLOPROPABENZOFURANYL PYRIDOPYRAZINEDIONES | PFIZER (US) | 2020-08-26 | — | — | EP | disclosed |