Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.51 |
| ▸ | THPO | P40225 | 2/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.51 |
| ▸ | GMNN | O75496 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.51 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL19732416 | 0.84 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL6094906 | 0.79 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL22594853 | 0.78 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL8952467 | 0.78 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL4266391 | 0.73 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL26242336 | 0.72 | EGFR (0.57) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL17806416 | 0.71 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| Hydrochloric Acid SCHEMBL28679486 | 0.71 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL16807862 | 0.70 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL8172434 | 0.70 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT |
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-2017216791-A9 | ANTICANCER DRUG CONJUGATES | Ariel Scientific Innovations Ltd. (IL) | 2018-02-08 | — | — | WO | disclosed |
| WO-2017216791-A1 | ANTICANCER DRUG CONJUGATES | Ariel Scientific Innovations Ltd. (IL) | 2017-12-21 | — | — | WO | disclosed |