Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25440287 | 0.93 | GAA (0.53) | GAANPC1SMN1; SMN2RAB9ACASP3 | |
| SCHEMBL18938787 | 0.89 | NPC1 (0.61) | GAANPC1SMN1; SMN2RAB9ACASP3 | |
| SCHEMBL22357676 | 0.87 | HSD11B1 (0.52) | GAANPC1SMN1; SMN2RAB9ACASP3 | |
| SCHEMBL22357691 | 0.87 | GAA (0.48) | GAANPC1SMN1; SMN2RAB9ACASP3 | |
| SCHEMBL22357731 | 0.87 | ALDH1A1 (0.50) | GAANPC1SMN1; SMN2RAB9ACASP3 | |
| SCHEMBL18939809 | 0.87 | NPC1 (0.59) | GAANPC1SMN1; SMN2RAB9ACASP3 | |
| SCHEMBL24334729 | 0.85 | GAA (0.52) | GAANPC1SMN1; SMN2RAB9ACASP3 | |
| SCHEMBL11810775 | 0.83 | HSP90AA1 (0.55) | GAANPC1SMN1; SMN2RAB9ACASP3 | |
| SCHEMBL22357689 | 0.80 | GAA (0.43) | GAANPC1SMN1; SMN2RAB9ACASP3 | |
| SCHEMBL18938472 | 0.80 | GAA (0.43) | GAANPC1SMN1; SMN2RAB9ACASP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017093263-A1 | PROCESS FOR PREPARING FUNCTIONALIZED 1,2,4,5-TETRAZINE COMPOUNDS | UNIVERSITE DE BOURGOGNE (FR) | 2017-06-08 | — | — | WO | disclosed |