Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRR | Q9GZT4 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSH | P09668 | 1/20 | 0.41 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7296959 | 1.00 | SRR (0.46) | SRREPHX1ALPIPKMPTGS1 | |
| SCHEMBL14762630 | 1.00 | SRR (0.46) | SRREPHX1ALPIPKMPTGS1 | |
| SCHEMBL28337605 | 0.87 | PARP10 (0.54) | — | |
| SCHEMBL28337607 | 0.87 | PARP10 (0.54) | — | |
| SCHEMBL13223447 | 0.86 | CYP1A2 (0.47) | SRREPHX1ALPIPKMPTGS1 | |
| SCHEMBL28578958 | 0.83 | LMNA (0.46) | CYP1A2LMNACTSKACE | |
| SCHEMBL28578960 | 0.83 | LMNA (0.46) | CYP1A2LMNACTSKACE | |
| SCHEMBL4517205 | 0.83 | ALDH1A1 (0.46) | SRRALPIPKMPTGS1XIAP | |
| SCHEMBL27580730 | 0.83 | ALDH1A1 (0.46) | SRRALPIPKMPTGS1XIAP | |
| SCHEMBL9667316 | 0.82 | CTSK (0.41) | SRRALPIPKMPTGS1XIAP |
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 |
|---|---|---|---|---|---|---|---|
| CN-106817899-B | Spiroheptane as ROCK inhibitor | 百时美施贵宝公司 | 2021-03-09 | — | — | CN | disclosed |