Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 3/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL171027 | 1.00 | LCK (0.53) | LCKPARP1PDE10ATP53TDP1 | |
| SCHEMBL1805871 | 0.83 | LCK (0.53) | LCKPARP1TDP1DYRK1ADYRK1B | |
| SCHEMBL31621156 | 0.82 | HTT (0.61) | PDE10ATP53TDP1DYRK1ADYRK1B | |
| SCHEMBL1002832 | 0.82 | PRSS1 (0.61) | LCKPARP1TDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL1758239 | 0.82 | HTT (0.61) | PDE10ATP53TDP1DYRK1ADYRK1B | |
| SCHEMBL29503140 | 0.82 | PRSS1 (0.61) | LCKPARP1TDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9541786 | 0.80 | PARP1 (0.52) | LCKPARP1HSD17B1SMN1; SMN2KDM4E | |
| SCHEMBL172420 | 0.80 | CA12 (0.64) | PDE10ATP53TDP1ESR1SMN1; SMN2 | |
| SCHEMBL11053174 | 0.80 | HTT (0.64) | PDE10ATP53TDP1DYRK1ADYRK1B | |
| SCHEMBL172723 | 0.80 | PKM (0.57) | PDE10ATP53TDP1DYRK1ADYRK1B |
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-119343336-A | 1, 4-Bis- (2-hydroxy-benzyl) -1,4, 7-triazacyclononane derivatives and similar compounds as ligands in iron (III) complexes for use as MRI contrast agents | 伯拉考成像股份公司 | 2025-01-21 | — | — | CN | claimed |