Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7298648 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL12591107 | 0.84 | CES2 (0.45) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL19980208 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL19980206 | 0.76 | TSHR (0.41) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL23188930 | 0.75 | TSHR (0.46) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL21157019 | 0.75 | ALDH1A1 (0.38) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL12591127 | 0.75 | RAB9A (0.39) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL20344562 | 0.73 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL19980271 | 0.73 | CNR2 (0.37) | ALDH1A1KDM4ELMNACES2CES1 | |
| SCHEMBL7298258 | 0.72 | ALDH1A1 (0.43) | ALDH1A1KDM4ELMNARAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0300688-A1 | Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them | FISONS plc (GB) | 1989-01-25 | — | — | EP | disclosed |