Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21701596 | 0.78 | SMN1; SMN2 (0.44) | ALDH1A1HPGDMAPTKDM4EGAA | |
| SCHEMBL21701582 | 0.77 | KEAP1 (0.46) | ALDH1A1MAPTKDM4ETDP1L3MBTL1 | |
| SCHEMBL21701416 | 0.67 | MALT1 (0.81) | ALDH1A1LMNAMALT1MAPTGAA | |
| SCHEMBL31284692 | 0.66 | TDP1 (0.45) | ALDH1A1LMNAHPGDMALT1NOTUM | |
| SCHEMBL21701422 | 0.66 | MALT1 (0.67) | ALDH1A1LMNAHPGDMALT1MAPT | |
| SCHEMBL6677639 | 0.64 | LMNA (0.60) | ALDH1A1LMNAMAPTKDM4EL3MBTL1 | |
| SCHEMBL6677642 | 0.64 | LMNA (0.60) | ALDH1A1LMNAMAPTKDM4EL3MBTL1 | |
| SCHEMBL2943952 | 0.64 | USP2 (0.56) | ALDH1A1LMNANOTUMMAPTKDM4E | |
| SCHEMBL31284461 | 0.63 | NOTUM (0.56) | ALDH1A1HPGDMALT1NOTUMMAPT | |
| SCHEMBL12529764 | 0.63 | MCHR1 (0.61) | — |
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 |