Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | USP2 | O75604 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6966711 | 0.82 | TDP1 (0.46) | TDP1ALDH1A1USP2CYP3A4MAPT | |
| SCHEMBL6911500 | 0.79 | TDP1 (0.38) | TDP1ALDH1A1USP2CYP3A4MAPT | |
| SCHEMBL5930106 | 0.78 | TDP1 (0.45) | TDP1ALDH1A1USP2CYP3A4MAPT | |
| SCHEMBL28193587 | 0.77 | TDP1 (0.44) | TDP1ALDH1A1USP2CYP3A4MAPT | |
| SCHEMBL2868878 | 0.76 | ALDH1A1 (0.47) | ALDH1A1USP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL20237150 | 0.76 | — | — | |
| SCHEMBL4630358 | 0.73 | TDP1 (0.37) | TDP1ALDH1A1USP2CYP3A4MAPT | |
| SCHEMBL11817899 | 0.73 | TDP1 (0.50) | TDP1ALDH1A1USP2CYP3A4MAPT | |
| SCHEMBL6918222 | 0.71 | ALOX15 (0.42) | TDP1ALDH1A1SMN1; SMN2LMNAHSD17B10 | |
| SCHEMBL1440611 | 0.70 | — | — |
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-2004007418-A1 | A PROCESS FOR THE PREPARATION OF 2-ACETOXYMETHYL-4 HALO-BUT-1-YL ACETATES | RECORDATI S.A. (CH) | 2004-01-22 | — | — | WO | disclosed |