Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 8/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.34 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL29315913 | 0.77 | ROCK1 (0.39) | PDK2ROCK2ROCK1BLM | |
| SCHEMBL29315909 | 0.74 | ROCK2 (0.46) | ROCK2ROCK1 | |
| SCHEMBL20040983 | 0.73 | NPBWR1 (0.44) | NPBWR1PDK2ROCK2ROCK1RPS6KA3 | |
| SCHEMBL29316276 | 0.72 | ROCK2 (0.39) | PDK2ROCK2ROCK1METAP2 | |
| SCHEMBL15245170 | 0.72 | METAP2 (0.68) | NPBWR1METAP2CYP1A2 | |
| SCHEMBL391593 | 0.70 | CES2 (0.45) | ERN1 | |
| SCHEMBL17276683 | 0.69 | TRPA1 (0.55) | PDK2ROCK2ROCK1 | |
| SCHEMBL15844178 | 0.69 | NPBWR1 (0.52) | NPBWR1ROCK2 | |
| SCHEMBL32681777 | 0.68 | NOTUM (0.45) | NPBWR1ROCK2ROCK1BLM | |
| SCHEMBL24017193 | 0.67 | CES2 (0.46) | — |
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 2 patents. 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 |
| 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 |