Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP15 | Q460N3 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL19175928 | 0.84 | CA1 (0.45) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL19476025 | 0.80 | PARP10 (0.47) | PARP15PARP10AKR1B1CA1CA2 | |
| SCHEMBL19476170 | 0.78 | KDM4E (0.47) | CA1CA2CA4CA6KDM4E | |
| SCHEMBL17469676 | 0.78 | CES2 (0.40) | CA1CA2CA4CA6LMNA | |
| SCHEMBL19476058 | 0.77 | KDM4E (0.40) | CA1CA2CA4CA6KDM4E | |
| SCHEMBL19476060 | 0.76 | MAOB (0.39) | MEN1KMT2AFFAR1 | |
| SCHEMBL19168589 | 0.75 | NPC1 (0.40) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL19476241 | 0.75 | CA1 (0.39) | CA1CA2 | |
| SCHEMBL19476035 | 0.75 | CA1 (0.39) | CA1CA2 | |
| SCHEMBL19476245 | 0.74 | PSEN1 (0.42) | CA1CA2KEAP1NFE2L2 |
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 |