Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP1 | P24666 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 6/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.41 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.41 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.41 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.41 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.41 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.41 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.41 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5184940 | 0.89 | ACP1 (0.62) | ACP1HDAC3HDAC1HDAC2ROCK2 | |
| SCHEMBL5185024 | 0.88 | ACP1 (0.53) | ACP1HDAC3HDAC1HDAC2ROCK2 | |
| SCHEMBL5185578 | 0.88 | MEN1 (0.48) | ACP1ROCK2ROCK1KDRADCY6 | |
| SCHEMBL5226515 | 0.87 | ACP1 (0.51) | ACP1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL5261870 | 0.80 | CNR1 (0.52) | ACP1HDAC3HDAC1HDAC2ROCK2 | |
| SCHEMBL5183499 | 0.80 | CNR1 (0.52) | ACP1HDAC3HDAC1HDAC2ROCK2 | |
| SCHEMBL5184709 | 0.80 | PABPC1 (0.56) | ACP1HDAC3HDAC1HDAC2ROCK2 | |
| SCHEMBL4950201 | 0.78 | ROCK2 (0.46) | ACP1HDAC3HDAC1HDAC2ROCK2 | |
| SCHEMBL5185056 | 0.76 | ROCK2 (0.48) | ROCK2ROCK1 | |
| SCHEMBL5184518 | 0.75 | HDAC3 (0.44) | HDAC3HDAC1HDAC2NCOR2ROCK2 |
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-1758920-A1 | BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS | MPEX PHARMACEUTICALS, INC. (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005113579-A1 | BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS | MPEX PHARMACEUTICALS, INC. (US) | 2005-12-01 | — | — | WO | disclosed |