Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.51 |
| ▸ | F10 | P00742 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21701410 | 0.92 | POLB (0.57) | KMT2APOLBMAPTGAAADRA1D | |
| SCHEMBL21701424 | 0.89 | GAA (0.59) | KMT2APOLBMAPTGAAADRA1D | |
| SCHEMBL21701423 | 0.86 | POLB (0.57) | KMT2AMEN1ALDH1A1L3MBTL1POLB | |
| SCHEMBL21701456 | 0.86 | POLB (0.57) | KMT2AMEN1L3MBTL1POLBMAPT | |
| SCHEMBL21701415 | 0.86 | POLB (0.67) | KMT2AMEN1ALDH1A1L3MBTL1POLB | |
| SCHEMBL21701425 | 0.85 | POLB (0.55) | KMT2AMEN1ALDH1A1L3MBTL1POLB | |
| SCHEMBL21701427 | 0.83 | MAPT (0.57) | POLBMAPTNPC1RAB9AF10 | |
| SCHEMBL21701458 | 0.83 | MAPT (0.54) | KMT2AMEN1ALDH1A1POLBMAPT | |
| SCHEMBL21701457 | 0.82 | ALDH1A1 (0.66) | ALDH1A1L3MBTL1POLBMAPTGAA | |
| SCHEMBL21701605 | 0.81 | MAPT (0.57) | KMT2APOLBMAPTNPC1RAB9A |
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-2020033944-A2 | NON-POLYAMINE BASED POLYAMINE TRANSPORT INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS | UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) | 2020-02-13 | — | — | WO | disclosed |