Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4814264 | 0.87 | MEN1 (0.76) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL379160 | 0.87 | MEN1 (0.76) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL3970912 | 0.87 | MEN1 (0.76) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL7393652 | 0.87 | MEN1 (0.76) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL19450980 | 0.86 | TMEM97 (0.55) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| Bicarbonate SCHEMBL4357688 | 0.86 | MEN1 (0.73) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL15011579 | 0.86 | MEN1 (0.73) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL1267899 | 0.86 | MEN1 (0.58) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL1911481 | 0.85 | MEN1 (0.61) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL8251750 | 0.85 | MEN1 (0.61) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 |
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-A1 | VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF | Université Amiens Picardie Jules Verne (FR) | 2018-05-16 | — | — | EP | disclosed |