Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 14/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | TSHR | P16473 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9344930 | 0.93 | MAPT (0.40) | CYP3A4ALDH1A1TSHRMAPTHPGD | |
| SCHEMBL9348914 | 0.93 | MAPT (0.40) | CYP3A4ALDH1A1TSHRMAPTHPGD | |
| SCHEMBL9345469 | 0.93 | ELANE (0.40) | CYP3A4ALDH1A1TSHRMAPTHPGD | |
| SCHEMBL9344950 | 0.86 | MAPT (0.40) | CYP3A4ALDH1A1TSHRMAPTHPGD | |
| SCHEMBL2790849 | 0.84 | CYP3A4 (0.51) | CYP3A4ALDH1A1TSHRMAPTMAPK1 | |
| SCHEMBL9696523 | 0.84 | MAPT (0.42) | CYP3A4ALDH1A1TSHRMAPTTP53 | |
| SCHEMBL9696017 | 0.82 | CA1 (0.39) | ALDH1A1KDM4EALOX15ADRB2ADRA2A | |
| SCHEMBL21462592 | 0.82 | MEN1 (0.40) | CYP3A4ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL9696527 | 0.81 | ALOX15 (0.43) | CYP3A4ALDH1A1TSHRMAPTTP53 | |
| SCHEMBL23055623 | 0.77 | APP (0.42) | KDM4ENPC1GAAHPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5144059-A | CATECHOLAMINE ESTERS | SIMES SOCIETA ITALIANA MEDICINALI E. SINTETICI S.A. (IT) | 1992-09-01 | — | — | US | disclosed |