Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL349476 | 0.82 | ALDH1A1 (0.50) | MAOBCA1KDM4EGAASMN1; SMN2 | |
| SCHEMBL17469677 | 0.81 | ELANE (0.39) | KDM4EGAASMN1; SMN2ACHE | |
| SCHEMBL19175981 | 0.79 | PPARG (0.44) | HTR1AMAOBABCB1CA1ACHE | |
| SCHEMBL19476025 | 0.74 | PARP10 (0.47) | CA1KDM4E | |
| SCHEMBL19476026 | 0.74 | KDM4E (0.63) | FLT3KDM4EGAASMN1; SMN2 | |
| SCHEMBL19476058 | 0.73 | KDM4E (0.40) | HTR1AFLT3ABCB1CA1KDM4E | |
| SCHEMBL19476057 | 0.73 | MAOB (0.48) | MAOBABCB1 | |
| SCHEMBL16225980 | 0.73 | ALDH1A1 (0.51) | HTR1AFLT3SLC2A1KDM4ESMN1; SMN2 | |
| SCHEMBL21973050 | 0.70 | SLC2A1 (0.44) | HTR1AFLT3SLC2A1MAOBABCB1 | |
| SCHEMBL19476035 | 0.70 | CA1 (0.39) | MAOBCA1ACHE |
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 |