Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 12/20 | 0.67 |
| ▸ | SRC | P12931 | 12/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL28972607 | 0.87 | KDM4E (0.58) | ABL1SRCTSHRMEN1KMT2A | |
| SCHEMBL28972603 | 0.83 | RAB9A (0.53) | ABL1SRCMEN1KMT2ALMNA | |
| SCHEMBL28972619 | 0.83 | SMN1; SMN2 (0.71) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL28972615 | 0.82 | RAB9A (0.66) | ABL1SRCMEN1KMT2ALMNA | |
| SCHEMBL28972601 | 0.82 | NPC1 (0.54) | ABL1SRCMEN1KMT2ALMNA | |
| SCHEMBL28972608 | 0.81 | RAB9A (0.58) | ABL1SRCMEN1KMT2AMAPT | |
| SCHEMBL28972598 | 0.81 | NPC1 (0.53) | ABL1SRCMEN1KMT2ALMNA | |
| SCHEMBL28972611 | 0.80 | NPC1 (0.52) | ABL1SRCMEN1KMT2ALMNA | |
| SCHEMBL28972595 | 0.79 | RAB9A (0.56) | ABL1SRCMEN1KMT2AMAPT | |
| SCHEMBL28972621 | 0.79 | MAPT (0.55) | ABL1SRCMEN1KMT2AMAPT |
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-109456283-B | 2- (trifluoromethyl) benzamide derivative containing 1,3,4-thiadiazole thioether (sulfone), and preparation and application thereof | 贵州大学 | 2023-03-28 | — | — | CN | disclosed |