Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29062620 | 0.88 | HTT (0.70) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL15381942 | 0.86 | HTT (0.71) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL12949756 | 0.84 | SMN1; SMN2 (0.71) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL30669327 | 0.83 | HTT (0.67) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL30669370 | 0.83 | HTT (0.67) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL3355305 | 0.83 | HTT (0.67) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL9513558 | 0.82 | HTT (0.73) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL20382944 | 0.81 | HTT (0.71) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL10404509 | 0.80 | HTT (0.79) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL9741442 | 0.80 | HTT (1.00) | HTTSMN1; SMN2MEN1KMT2AALDH1A1 |
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-3319950-B1 | VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF | UNIV AMIENS PICARDIE JULES VERNE (FR) | 2021-11-03 | — | — | EP | disclosed |