Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18867573 | 0.70 | — | — | |
| SCHEMBL303734 | 0.69 | — | — | |
| SCHEMBL18214843 | 0.65 | HTT (0.44) | PARP1HDAC3ENPP3ENPP1DAO | |
| SCHEMBL7923302 | 0.65 | POLB (0.42) | — | |
| SCHEMBL7842653 | 0.65 | RAB9A (0.37) | — | |
| SCHEMBL7447601 | 0.65 | PARP1 (0.30) | PARP1 | |
| SCHEMBL4664076 | 0.63 | DAO (0.38) | PARP1HDAC3ENPP3ENPP1DAO | |
| SCHEMBL5270512 | 0.63 | — | — | |
| SCHEMBL15102647 | 0.61 | — | — | |
| SCHEMBL540154 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1051431-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999037668-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-29 | — | — | WO | disclosed |