Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RBBP9 | O75884 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7163597 | 0.89 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2ATSHREPHX2 | |
| SCHEMBL2037374 | 0.80 | CHRM2 (0.40) | ALDH1A1 | |
| SCHEMBL3275156 | 0.78 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2ATSHREPHX2 | |
| SCHEMBL29107619 | 0.77 | HPGD (0.33) | ALDH1A1MEN1KMT2ATSHREPHX2 | |
| SCHEMBL2039390 | 0.77 | PARP1 (0.30) | NOS3NOS2 | |
| SCHEMBL2036928 | 0.77 | CHRM2 (0.43) | ALDH1A1NOS3NOS2 | |
| SCHEMBL2043679 | 0.76 | PIK3C3 (0.33) | — | |
| SCHEMBL11102058 | 0.75 | KIF11 (0.34) | ALDH1A1MEN1KMT2ATSHREPHX2 | |
| SCHEMBL2040519 | 0.75 | PKM (0.36) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL497630 | 0.74 | TSHR (0.38) | ALDH1A1MEN1KMT2ATSHREPHX2 |
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-1272488-A2 | TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001070738-A2 | TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-09-27 | — | — | WO | disclosed |