Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 3/20 | 0.36 |
| ▸ | IMPDH1 | P20839 | 3/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 14/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29314055 | 0.90 | IMPDH2 (0.35) | IMPDH2IMPDH1GPBAR1GPR119 | |
| SCHEMBL29314044 | 0.83 | POLQ (0.42) | IMPDH2IMPDH1GPBAR1AAK1 | |
| SCHEMBL29314063 | 0.82 | POLQ (0.39) | IMPDH2IMPDH1GPBAR1 | |
| SCHEMBL29314064 | 0.80 | POLQ (0.38) | IMPDH2IMPDH1GPBAR1GPR119 | |
| SCHEMBL29313940 | 0.79 | S1PR1 (0.35) | GPBAR1 | |
| SCHEMBL30847649 | 0.72 | CMA1 (0.35) | — | |
| SCHEMBL29313853 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL30847635 | 0.72 | CMA1 (0.35) | — | |
| SCHEMBL29313943 | 0.70 | GPBAR1 (0.34) | GPBAR1 | |
| SCHEMBL29314040 | 0.68 | POLQ (0.36) | IMPDH2IMPDH1GPR119AAK1 |
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 |