Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 6/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5967116 | 0.83 | AHR (0.59) | AHRCYP1B1PSEN1PSEN2APH1B | |
| SCHEMBL15225447 | 0.79 | AHR (0.47) | AHRCYP1B1PSEN1PSEN2APH1B | |
| SCHEMBL7821465 | 0.76 | CYP2A6 (0.40) | — | |
| SCHEMBL20134691 | 0.74 | PTGS2 (0.45) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL17515013 | 0.71 | NISCH (0.38) | NPC1RAB9AKDM4EMEN1GAA | |
| SCHEMBL17514936 | 0.71 | ABL1 (0.41) | CYP1B1AKR1C3AKR1C2CYP3A4CYP2C9 | |
| SCHEMBL2282125 | 0.70 | AHR (1.00) | AHRCYP1B1PSEN1PSEN2APH1B | |
| SCHEMBL224657 | 0.69 | — | — | |
| SCHEMBL22463151 | 0.69 | AHR (0.46) | AHRCYP1B1PSEN1PSEN2APH1B | |
| SCHEMBL17514538 | 0.69 | — | — |
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-116234546-A | GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases | 嘉兴优博生物技术有限公司 | 2023-06-06 | — | — | CN | claimed |