Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | F2 | P00734 | 2/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1492740 | 0.82 | DAO (0.43) | MAPTKMT2ACES2CES1HDAC1 | |
| SCHEMBL1238423 | 0.80 | CNR1 (0.40) | MAPTKMT2AALOX5TSHRKIF11 | |
| SCHEMBL9235584 | 0.80 | CNR1 (0.40) | KMT2ACES2CES1HDAC1ALOX5 | |
| Hydrochloric Acid SCHEMBL9402263 | 0.80 | DAO (0.42) | MAPTKMT2ACES2CES1HDAC1 | |
| SCHEMBL2986833 | 0.79 | HDAC1 (0.39) | KMT2ACES2CES1HDAC1HDAC2 | |
| SCHEMBL6675248 | 0.78 | DAO (0.41) | MAPTKMT2ACES2CES1ALOX5 | |
| SCHEMBL41617 | 0.78 | DAO (0.43) | KMT2ACES2CES1HDAC1ALOX5 | |
| SCHEMBL1421302 | 0.78 | DAO (0.43) | KMT2ACES2CES1HDAC1ALOX5 | |
| SCHEMBL599752 | 0.78 | DAO (0.43) | KMT2ACES2CES1HDAC1ALOX5 | |
| SCHEMBL22394843 | 0.77 | CHRM3 (0.40) | MAPTKMT2ACES2CES1ALOX5 |
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-1670804-A2 | HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS | GPC Biotech AG (DE) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005023818-A2 | HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS | GPC BIOTECH AG (DE) | 2005-03-17 | — | — | WO | disclosed |