Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19720132 | 0.87 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TSHRTDP1ALOX15 | |
| SCHEMBL3781446 | 0.77 | CYP3A4 (0.52) | ALDH1A1CYP3A4TSHRTDP1ALOX15 | |
| SCHEMBL2545010 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1ALOX15 | |
| SCHEMBL7998914 | 0.70 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRTDP1ALOX15 | |
| SCHEMBL5108679 | 0.70 | HTR2A (0.46) | ALDH1A1CYP3A4TSHRTDP1ALOX15 | |
| SCHEMBL1449887 | 0.70 | TSHR (0.34) | ALDH1A1CYP3A4TSHRTDP1ALOX15 | |
| SCHEMBL7789585 | 0.69 | CYP3A4 (0.43) | ALDH1A1CYP3A4TSHRTDP1ALOX15 | |
| SCHEMBL20259330 | 0.68 | PSEN1 (0.39) | ALDH1A1TDP1TP53HTTLMNA | |
| SCHEMBL7995851 | 0.68 | TSHR (0.42) | ALDH1A1CYP3A4TSHRTDP1ALOX15 | |
| SCHEMBL15077697 | 0.67 | GABRA1 (0.41) | ALDH1A1CYP3A4TSHRTDP1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3548469-B1 | METHOD FOR THE MANUFACTURE OF EFAVIRENZ | UNIV NELSON MANDELA METROPOLITAN (ZA) | 2020-08-26 | — | — | EP | disclosed |