Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28219972 | 0.79 | PARP1 (0.46) | PARP1DHODHELANEPBRM1PDE2A | |
| SCHEMBL28219983 | 0.79 | TSHR (0.40) | PARP1DHODHELANEKDM4EALDH1A1 | |
| SCHEMBL626362 | 0.75 | DYRK1A (0.49) | PARP1DHODHELANEKDM4EALDH1A1 | |
| Water SCHEMBL25347465 | 0.73 | DYRK1A (0.48) | PARP1DHODHELANEKDM4EALDH1A1 | |
| SCHEMBL29344431 | 0.73 | PARP1 (0.47) | PARP1DHODHELANEPBRM1KDM4E | |
| SCHEMBL28311772 | 0.73 | GPR3 (0.57) | PARP1DHODHELANEPBRM1ALDH1A1 | |
| SCHEMBL12501261 | 0.72 | PARP1 (0.50) | PARP1DHODHELANEPBRM1KDM4E | |
| SCHEMBL29008939 | 0.71 | PARP1 (0.46) | PARP1DHODHELANEPBRM1GRIN1 | |
| SCHEMBL4788222 | 0.71 | PARP1 (0.46) | PARP1DHODHELANEPBRM1KDM4E | |
| SCHEMBL18488814 | 0.70 | CYP1A2 (0.36) | KDM4EALDH1A1MEN1KMT2AHSD17B10 |
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-2008117079-A1 | ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE | HELPERBY THERAPEUTICS LIMITED (GB) | 2008-10-02 | — | — | WO | disclosed |