Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21701591 | 0.84 | SMN1; SMN2 (0.55) | SMN1; SMN2CYP1A2MAPTALDH1A1GAA | |
| SCHEMBL21701579 | 0.81 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP1A2MAPTALDH1A1GAA | |
| SCHEMBL21683001 | 0.81 | ALDH1A1 (0.56) | SMN1; SMN2CYP1A2MAPTALDH1A1GAA | |
| SCHEMBL21701587 | 0.79 | ALDH1A1 (0.53) | SMN1; SMN2CYP1A2MAPTALDH1A1GAA | |
| SCHEMBL13460198 | 0.77 | USP2 (0.47) | CYP1A2MAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL6815137 | 0.74 | GFER (0.71) | SMN1; SMN2CYP1A2MAPTALDH1A1GAA | |
| SCHEMBL14075179 | 0.74 | LTC4S (0.66) | SMN1; SMN2CYP1A2GAANPC1RAB9A | |
| SCHEMBL21701478 | 0.74 | CYP1A2 (0.61) | SMN1; SMN2CYP1A2MAPTALDH1A1GAA | |
| SCHEMBL6933566 | 0.74 | CYP1A2 (0.61) | SMN1; SMN2CYP1A2MAPTALDH1A1GAA | |
| SCHEMBL6814636 | 0.74 | CYP1A2 (0.57) | CYP1A2MAPTALDH1A1GAARAB9A |
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 |