Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 2/20 | 0.37 |
| ▸ | GOPC | Q9HD26 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | PTPRF | P10586 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9763428 | 0.74 | BACE1 (0.38) | BACE1MAOAMAOBCFTRGOPC | |
| SCHEMBL9723736 | 0.72 | BACE1 (0.39) | BACE1MAOAMAOBCFTRGOPC | |
| SCHEMBL7912360 | 0.69 | MAOA (0.57) | BACE1MAOAMAOBCFTRGOPC | |
| SCHEMBL8902488 | 0.67 | BACE1 (0.46) | BACE1MAOAMAOBCFTRGOPC | |
| SCHEMBL30712609 | 0.67 | PTPN1 (0.36) | BACE1MAOAMAOBPTPN1PTPRC | |
| SCHEMBL8191410 | 0.66 | BACE1 (0.44) | BACE1MAOAMAOBCFTRGOPC | |
| SCHEMBL7959486 | 0.63 | NPC1 (0.52) | BACE1MAOAMAOBCFTRGOPC | |
| SCHEMBL979621 | 0.63 | CFTR (0.43) | BACE1MAOAMAOBCFTRGOPC | |
| SCHEMBL221295 | 0.62 | BACE1 (0.65) | BACE1MAOAMAOBPTPN1PTPRC | |
| SCHEMBL12480578 | 0.62 | BACE1 (0.60) | BACE1MAOAMAOBCFTRGOPC |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010136804-A1 | PYRIMIDINE DERIVATIVES FOR USE AS ANTIBIOTICS | ASTON UNIVERSITY (GB) | 2010-12-02 | — | — | WO | claimed |
| WO-2010136804-A1 | PYRIMIDINE DERIVATIVES FOR USE AS ANTIBIOTICS | ASTON UNIVERSITY (GB) | 2010-12-02 | — | — | WO | disclosed |