Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7080315 | 0.85 | CYP2C19 (0.42) | MMP1MMP2MMP9MMP12CES2 | |
| SCHEMBL11628475 | 0.81 | HPGD (0.41) | MMP1MMP2MMP9MMP12RAB9A | |
| SCHEMBL699939 | 0.72 | — | — | |
| SCHEMBL6044891 | 0.72 | SLC1A3 (0.38) | MMP1MMP2MMP9MMP12CES2 | |
| SCHEMBL4968147 | 0.70 | ALOX5 (0.44) | MMP1MMP2MMP9MMP12CES2 | |
| SCHEMBL3874912 | 0.70 | ALOX5 (0.44) | MMP1MMP2MMP9MMP12CES2 | |
| SCHEMBL3740253 | 0.70 | KMT2A (0.51) | MMP1MMP2MMP9MMP12DAO | |
| SCHEMBL4560908 | 0.70 | SLC1A3 (0.44) | MMP1MMP2MMP9MMP12CES2 | |
| SCHEMBL9355412 | 0.70 | MMP1 (0.41) | MMP1MMP2MMP9MMP12CES2 | |
| SCHEMBL6162434 | 0.69 | PPARA (0.47) | CYP2C19ALDH1A1POLBLMNA |
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-2004032871-A2 | PIPERAZINE AND PIPERAZINONE INHIBITORS OF FACTOR XA | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-04-22 | — | — | WO | disclosed |