Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.54 |
| ▸ | PIM1 | P11309 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | IP6K1 | Q92551 | 3/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | KDM4B | O94953 | 1/20 | 0.44 |
| ▸ | KDM5C | P41229 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.44 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29428185 | 0.80 | PARP1 (0.63) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL4966568 | 0.80 | PARP1 (0.63) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL30799511 | 0.80 | RAB9A (0.45) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL3997475 | 0.80 | RAB9A (0.45) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL641597 | 0.78 | SLC2A1 (0.62) | PARP1CHEK1PIM1RPS6KA3PDPK1 | |
| SCHEMBL1346000 | 0.77 | PARP1 (0.51) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL263941 | 0.76 | PARP1 (0.58) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL4603949 | 0.76 | MMP12 (0.60) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL1012325 | 0.75 | IP6K1 (0.80) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 | |
| SCHEMBL3489621 | 0.75 | PARP1 (0.50) | PARP1CHEK1PIM1ALDH1A1RPS6KA3 |
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-2004080970-A1 | NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-09-23 | — | — | WO | disclosed |