Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 11/20 | 0.38 |
| ▸ | LDHB | P07195 | 10/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MARK3 | P27448 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17254681 | 1.00 | NUDT1 (0.38) | NUDT1LDHALDHBHTTSMN1; SMN2 | |
| SCHEMBL20105192 | 0.77 | HTT (0.38) | NUDT1LDHALDHBHTTSMN1; SMN2 | |
| SCHEMBL17254694 | 0.77 | HTT (0.38) | NUDT1LDHALDHBHTTSMN1; SMN2 | |
| SCHEMBL20105148 | 0.69 | SLC6A4 (0.39) | NUDT1LDHALDHBHTTSMN1; SMN2 | |
| SCHEMBL17254682 | 0.69 | SLC6A4 (0.39) | NUDT1LDHALDHBHTTSMN1; SMN2 | |
| SCHEMBL8282913 | 0.68 | ALDH1A1 (0.48) | HTTGAAALDH1A1KDM4EHSD17B10 | |
| SCHEMBL20105186 | 0.67 | BRD4 (0.42) | HTTSMN1; SMN2KMT2AMARK3IDH1 | |
| SCHEMBL17254695 | 0.67 | BRD4 (0.42) | HTTSMN1; SMN2KMT2AMARK3IDH1 | |
| SCHEMBL17254700 | 0.65 | CRHBP (0.40) | NUDT1LDHALDHBHTTSMN1; SMN2 | |
| SCHEMBL14087700 | 0.65 | KDM4E (0.42) | NUDT1LDHALDHBHTTSMN1; SMN2 |
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-3140304-B1 | BENZIMIDAZOLE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2018-05-02 | — | — | EP | disclosed |