Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.39 |
| ▸ | CPB1 | P15086 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | HTT | P42858 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL29192003 | 0.95 | CPB2 (0.43) | TBXAS1CPB2CPB1ALDH1A1LMNA | |
| SCHEMBL29192004 | 0.95 | CPB2 (0.43) | TBXAS1CPB2CPB1ALDH1A1LMNA | |
| Bromide SCHEMBL29192001 | 0.93 | CPB2 (0.42) | TBXAS1CPB2CPB1NPC1RAB9A | |
| SCHEMBL26038699 | 0.81 | CPB2 (0.37) | CPB2CPB1KDM4EMAPTCTSL | |
| SCHEMBL24329784 | 0.80 | — | — | |
| SCHEMBL23810847 | 0.77 | CPB2 (0.40) | TBXAS1CPB2CPB1NPC1RAB9A | |
| SCHEMBL24128290 | 0.76 | TBXAS1 (0.38) | TBXAS1CPB2CPB1ALDH1A1LMNA | |
| SCHEMBL26237382 | 0.74 | MEN1 (0.35) | TBXAS1 | |
| SCHEMBL8591843 | 0.74 | TBXAS1 (0.44) | TBXAS1CPB2NPC1RAB9AHTT | |
| SCHEMBL9625860 | 0.73 | TBXAS1 (0.47) | TBXAS1CPB2NPC1RAB9AHTT |
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-116947824-A | Monosubstituted 1,2,4, 5-tetrazine compound based on five-membered heterocycle and preparation method thereof | 北京大学 | 2023-10-27 | — | — | CN | disclosed |