Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21701579 | 0.97 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1HSD17B10MAPK1CYP1A2 | |
| SCHEMBL21683001 | 0.89 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1HSD17B10MAPK1CYP1A2 | |
| SCHEMBL21701587 | 0.86 | ALDH1A1 (0.53) | SMN1; SMN2ALDH1A1HSD17B10MAPK1CYP1A2 | |
| SCHEMBL21701474 | 0.84 | SMN1; SMN2 (0.58) | SMN1; SMN2ALDH1A1HSD17B10MAPK1CYP1A2 | |
| SCHEMBL21701605 | 0.78 | MAPT (0.57) | MAPTNPC1RAB9AKMT2A | |
| SCHEMBL21701494 | 0.75 | F10 (0.59) | ALDH1A1MAPTRAB9AKMT2A | |
| SCHEMBL21701478 | 0.72 | CYP1A2 (0.61) | SMN1; SMN2ALDH1A1HSD17B10MAPK1CYP1A2 | |
| SCHEMBL6815137 | 0.72 | GFER (0.71) | SMN1; SMN2ALDH1A1MAPK1CYP1A2KDM4E | |
| SCHEMBL14075179 | 0.72 | LTC4S (0.66) | SMN1; SMN2MAPK1CYP1A2KDM4EGAA | |
| SCHEMBL7657891 | 0.72 | KDM4E (0.60) | SMN1; SMN2ALDH1A1HSD17B10KDM4EGAA |
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 |