Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ACLY | P53396 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ELANE | P08246 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.42 |
| ▸ | MYLK | Q15746 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
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 | 0.83 | CA1 (0.45) | SMN1; SMN2ALDH1A1MAPTHPGDEGFR | |
| SCHEMBL17469676 | 0.82 | CES2 (0.40) | SMN1; SMN2ELANEACHECA1CA2 | |
| SCHEMBL19476058 | 0.81 | KDM4E (0.40) | KDM4EGAAALDH1A1ACHECA1 | |
| SCHEMBL16226411 | 0.79 | ACLY (0.48) | KDM4ESMN1; SMN2GAAACLYALDH1A1 | |
| SCHEMBL19476060 | 0.79 | MAOB (0.39) | MEN1KMT2AALOX5 | |
| SCHEMBL19476171 | 0.78 | PARP15 (0.46) | KDM4EALDH1A1MAPTCA1CA2 | |
| SCHEMBL16225766 | 0.75 | ELANE (0.65) | KDM4ESMN1; SMN2GAAACLYALDH1A1 | |
| SCHEMBL19168589 | 0.75 | NPC1 (0.40) | SMN1; SMN2ACLYALDH1A1MAPTHPGD | |
| SCHEMBL19476035 | 0.73 | CA1 (0.39) | EGFRACHECA1CA2 | |
| SCHEMBL19476034 | 0.72 | CES2 (0.38) | KDM4EGAAALDH1A1MAPTELANE |
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 |