Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 6/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19476060 | 0.94 | MAOB (0.39) | PSEN1ALOX5PTPN1PTPN2PTPN6 | |
| SCHEMBL19476244 | 0.90 | PSEN1 (0.46) | PSEN1ALOX5PPARGPTGES | |
| SCHEMBL19175928 | 0.89 | CA1 (0.45) | PPARGCA1CA2ACHE | |
| SCHEMBL19476035 | 0.84 | CA1 (0.39) | MAOBCA1CA2ACHE | |
| SCHEMBL19476241 | 0.83 | CA1 (0.39) | PTPN1CA1CA2ACHE | |
| SCHEMBL19168589 | 0.80 | NPC1 (0.40) | MAOBFFAR4 | |
| SCHEMBL19476057 | 0.78 | MAOB (0.48) | PTPN1MAOAMAOB | |
| SCHEMBL19476171 | 0.74 | PARP15 (0.46) | CA1CA2KEAP1NFE2L2 | |
| SCHEMBL17469676 | 0.72 | CES2 (0.40) | CA1CA2ACHE | |
| SCHEMBL19476170 | 0.72 | KDM4E (0.47) | ALOX5CA1CA2ACHE |
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-2017180248-A1 | ENANTIOENRICHED VIRIDICATUMTOXIN B ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-10-19 | — | — | WO | disclosed |