Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 5/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | STS | P08842 | 1/20 | 0.32 |
| ▸ | POLQ | O75417 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 4/20 | 0.32 |
| ▸ | RXRG | P48443 | 4/20 | 0.32 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31009206 | 0.90 | ROCK2 (0.36) | ROCK2SCDSCN9ACACNA1BCACNA1C | |
| SCHEMBL29316280 | 0.84 | ROCK2 (0.39) | ROCK2SCDSCN9ACACNA1BCACNA1C | |
| SCHEMBL31009207 | 0.81 | POLQ (0.50) | ROCK2SCDSCN9APOLQ | |
| SCHEMBL22353102 | 0.73 | ROCK2 (0.42) | ROCK2SCDTACR1STS | |
| SCHEMBL16895188 | 0.73 | ROCK2 (0.45) | ROCK2SCDSCN9ANR1H2STS | |
| SCHEMBL29315913 | 0.72 | ROCK1 (0.39) | ROCK2AGBL2GCGRPTGDR2RXRA | |
| SCHEMBL31009152 | 0.71 | POLQ (0.41) | ROCK2SCDSCN9ACACNA1BCACNA1C | |
| SCHEMBL16895234 | 0.69 | ROCK2 (0.40) | ROCK2SCDSCN9A | |
| SCHEMBL22462822 | 0.69 | ROCK2 (0.41) | ROCK2 | |
| SCHEMBL22462845 | 0.69 | TGFBR1 (0.43) | ROCK2STS |
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 |