Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 2/20 | 0.62 |
| ▸ | LIG3 | P49916 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 11/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.49 |
| ▸ | HTT | P42858 | 8/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.49 |
| ▸ | LMNA | P02545 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.46 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13401821 | 0.91 | LIG1 (0.75) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL19334306 | 0.86 | LIG1 (0.83) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL19334394 | 0.82 | ALDH1A1 (0.59) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL19298155 | 0.77 | LIG1 (1.00) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL13401789 | 0.77 | LIG1 (1.00) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL13401792 | 0.76 | KDM4E (0.63) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL19334390 | 0.73 | MEN1 (0.58) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL13745514 | 0.72 | MAPT (0.67) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL19334542 | 0.71 | L3MBTL1 (0.83) | ALDH1A1MAPTKDM4EHTTKMT2A | |
| SCHEMBL19334395 | 0.68 | KDM4E (0.52) | LIG1LIG3ALDH1A1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9757375-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2017-09-12 | — | — | US | disclosed |