Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.37 |
| ▸ | POLQ | O75417 | 3/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | P2RX1 | P51575 | 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 | |
|---|---|---|---|---|
| SCHEMBL9861458 | 0.88 | GABRA1 (0.50) | ESR1ESR2CES2GABRA1GABRB2 | |
| SCHEMBL30055403 | 0.82 | SIRT2 (0.41) | CES2POLQ | |
| SCHEMBL9862041 | 0.81 | HSPA5 (0.58) | GABRA1GABRB2PTPN5HSPA5SIGMAR1 | |
| SCHEMBL18244651 | 0.81 | CACNA1H (0.36) | CES2 | |
| SCHEMBL13888158 | 0.79 | GABRB3 (0.41) | ESR1ESR2GABRA1GABRB2GPR35 | |
| SCHEMBL13888162 | 0.79 | GABRA1 (0.38) | GABRA1GABRB2PTPN5HSPA5POLQ | |
| SCHEMBL391593 | 0.79 | CES2 (0.45) | CES2NOTUMGPR35 | |
| SCHEMBL6909178 | 0.77 | CES2 (0.40) | CES2NOTUMPOLQGPR35SIGMAR1 | |
| SCHEMBL424607 | 0.77 | POLQ (0.40) | CES2NOTUMPOLQGPR35SIGMAR1 | |
| SCHEMBL16772949 | 0.75 | CYP1A2 (0.43) | ESR1ESR2CES2GABRA1GABRB2 |
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-2024147972-A2 | DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF | THOMAS JEFFERSON UNIVERSITY (US) | 2024-07-11 | — | — | WO | disclosed |