Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | USP2 | O75604 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.57 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | OGA | O60502 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4030433 | 0.87 | ALDH1A1 (0.66) | ALDH1A1USP2HPGDERCC1ERCC4 | |
| SCHEMBL10195738 | 0.81 | ALDH1A1 (0.66) | ALDH1A1USP2HPGDHDAC6ERCC1 | |
| SCHEMBL28472106 | 0.80 | ERCC1 (0.69) | ALDH1A1USP2HPGDHDAC6ERCC1 | |
| SCHEMBL13768676 | 0.78 | HDAC6 (0.68) | ALDH1A1USP2HPGDHDAC6ERCC1 | |
| SCHEMBL28467821 | 0.78 | HDAC6 (0.68) | ALDH1A1USP2HPGDHDAC6ERCC1 | |
| SCHEMBL6244724 | 0.78 | ALDH1A1 (0.93) | ALDH1A1USP2HPGDHDAC6ERCC1 | |
| SCHEMBL15317638 | 0.78 | HDAC6 (0.63) | ALDH1A1USP2HPGDHDAC6ERCC1 | |
| SCHEMBL14420046 | 0.77 | HDAC6 (0.67) | ALDH1A1USP2HPGDHDAC6ERCC1 | |
| SCHEMBL4600028 | 0.77 | HDAC6 (0.67) | ALDH1A1USP2HPGDHDAC6ERCC1 | |
| SCHEMBL19064907 | 0.77 | ALDH1A1 (0.67) | ALDH1A1USP2HPGDHDAC6ERCC1 |
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-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |