Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8794822 | 0.84 | RAB9A (0.47) | RAB9AF2HTTCA2CA1 | |
| SCHEMBL14594625 | 0.83 | F2 (0.41) | NPC1RAB9ATSHRATMF2 | |
| SCHEMBL11589613 | 0.83 | JAK2 (0.46) | NPC1RAB9ATSHRATMF2 | |
| SCHEMBL11198231 | 0.82 | RAB9A (0.46) | RAB9AF2HTTCA2CA1 | |
| SCHEMBL14594623 | 0.78 | CA1 (0.53) | HTTCA2CA1CA9ALDH1A1 | |
| SCHEMBL8795305 | 0.77 | NPC1 (0.44) | NPC1RAB9ATSHRATMF2 | |
| SCHEMBL927567 | 0.77 | SMN1; SMN2 (0.45) | NPC1RAB9ATSHRATMF2 | |
| Hydrogen Sulfide SCHEMBL28882430 | 0.74 | F2 (0.40) | ATMF2HTTALDH1A1KMT2A | |
| SCHEMBL14878178 | 0.74 | F2 (0.67) | NPC1RAB9ATSHRATMF2 | |
| SCHEMBL9491112 | 0.74 | F2 (0.50) | F2HTTALDH1A1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109942540-A | A kind of 1,4- pentadiene -3- ketones derivant, preparation method and the application of the ester containing thiophene-sulfonic acid | 贵州大学 | 2019-06-28 | — | — | CN | disclosed |