Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 8/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.39 |
| ▸ | RXRA | P19793 | 4/20 | 0.38 |
| ▸ | RXRB | P28702 | 4/20 | 0.38 |
| ▸ | RXRG | P48443 | 4/20 | 0.38 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.37 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | MYLK4 | Q86YV6 | 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 | |
|---|---|---|---|---|
| SCHEMBL29315909 | 0.87 | ROCK2 (0.46) | ROCK1ROCK2 | |
| SCHEMBL29314121 | 0.78 | POLQ (0.44) | ROCK1ROCK2 | |
| SCHEMBL29316278 | 0.77 | NPBWR1 (0.39) | ROCK1ROCK2BLMPDK2 | |
| SCHEMBL29315915 | 0.72 | ROCK2 (0.37) | ROCK2RXRARXRBRXRGGCGR | |
| SCHEMBL29316276 | 0.70 | ROCK2 (0.39) | ROCK1ROCK2RXRARXRBRXRG | |
| SCHEMBL29315902 | 0.69 | RXRA (0.44) | RXRARXRBRXRGEGLN1AGBL2 | |
| SCHEMBL2996698 | 0.68 | RXRA (0.50) | ROCK1ROCK2RXRARXRBRXRG | |
| SCHEMBL15245170 | 0.65 | METAP2 (0.68) | — | |
| SCHEMBL6864341 | 0.65 | CES2 (0.46) | RXRARXRBRXRGEGLN1GPR17 | |
| SCHEMBL20040983 | 0.64 | NPBWR1 (0.44) | ROCK1ROCK2PDK2MYLK4 |
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 |