Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7186992 | 0.77 | ALDH1A1 (0.53) | ALDH1A1LMNAUSP2HPGDKMT2A | |
| SCHEMBL1756726 | 0.77 | LMNA (0.63) | CTSKALDH1A1LMNAL3MBTL1MEN1 | |
| SCHEMBL2241093 | 0.77 | DPP7 (0.42) | CYP2C19CTSKALDH1A1LMNAMEN1 | |
| SCHEMBL11188794 | 0.76 | KMT2A (0.45) | CYP2C19AKR1C1HDAC4LMNAL3MBTL1 | |
| SCHEMBL23137098 | 0.75 | CTSK (0.42) | CYP2C19CTSKALDH1A1LMNAHPGD | |
| SCHEMBL7497785 | 0.74 | BRD4 (0.46) | CYP2C19ALDH1A1LMNAKDM4EMMP1 | |
| SCHEMBL4532055 | 0.73 | NPC1 (0.43) | CYP2C19ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL30920015 | 0.73 | KDM4E (0.57) | ALDH1A1HPGDMEN1KMT2AKDM4E | |
| SCHEMBL4866845 | 0.73 | NPC1 (0.43) | CYP2C19ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL17234146 | 0.73 | KDM4E (0.57) | ALDH1A1HPGDMEN1KMT2AKDM4E |
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-1773786-A2 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2005123050-A2 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-29 | — | — | WO | disclosed |