Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | USP7 | Q93009 | 5/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7596717 | 0.79 | TDP1 (0.42) | ALDH1A1TDP1L3MBTL1CYP3A4TSHR | |
| Methane SCHEMBL28192521 | 0.77 | TDP1 (0.40) | ALDH1A1TDP1L3MBTL1CYP3A4TSHR | |
| SCHEMBL7596728 | 0.69 | ALDH1A1 (0.44) | ALDH1A1TDP1L3MBTL1CYP3A4TSHR | |
| SCHEMBL2155334 | 0.69 | ALDH1A1 (0.86) | ALDH1A1TDP1L3MBTL1CYP3A4TSHR | |
| SCHEMBL8759737 | 0.67 | ESR1 (0.42) | ALDH1A1TDP1CYP3A4TP53USP7 | |
| Methane SCHEMBL28119679 | 0.67 | GCGR (0.37) | ALDH1A1TDP1CYP3A4SMN1; SMN2KDM4E | |
| SCHEMBL33781 | 0.65 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1CYP3A4TSHR | |
| SCHEMBL8467252 | 0.65 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1CYP3A4TSHR | |
| Benzidine SCHEMBL25422776 | 0.63 | TDP1 (0.73) | ALDH1A1TDP1L3MBTL1CYP3A4TSHR | |
| Benzidine SCHEMBL6160242 | 0.63 | TDP1 (0.73) | ALDH1A1TDP1L3MBTL1CYP3A4TSHR |
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-114901073-A | Fungicidal combinations, mixtures and compositions and their use | 阿达马蒂斯有限公司 | 2022-08-12 | — | — | CN | disclosed |