Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | CDC25C | P30307 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29613398 | 0.92 | TSHR (0.56) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL28848867 | 0.92 | TSHR (0.56) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL28641142 | 0.87 | TSHR (0.51) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL30463255 | 0.87 | TSHR (0.51) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL29113046 | 0.84 | ALDH1A1 (0.56) | ALDH1A1KDM4EHSD17B10MAOBLMNA | |
| SCHEMBL9504146 | 0.82 | ALDH1A1 (0.70) | ALDH1A1KDM4EHSD17B10MAOBLMNA | |
| SCHEMBL17934077 | 0.80 | TSHR (0.64) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL28174026 | 0.79 | TSHR (0.49) | ALDH1A1KDM4EHSD17B10LMNATSHR | |
| SCHEMBL28289328 | 0.79 | ALDH1A1 (0.62) | ALDH1A1KDM4EHSD17B10MAOBLMNA | |
| SCHEMBL2117339 | 0.78 | ALDH1A1 (0.71) | ALDH1A1KDM4EHSD17B10MAOBLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5650513-A | Process for preparing perylene-3,4-dicarboxylic acid derivatives, the derivatives thus prepared and their use | CIBA-GEIGY CORPORATION (US) | 1997-07-22 | — | — | US | disclosed |