Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 2/20 | 0.78 |
| ▸ | LIG3 | P49916 | 1/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.61 |
| ▸ | MAPT | P10636 | 11/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.55 |
| ▸ | MEN1 | O00255 | 5/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.47 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13401789 | 0.87 | LIG1 (1.00) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL19298155 | 0.87 | LIG1 (1.00) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL19334306 | 0.79 | LIG1 (0.83) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL13401791 | 0.77 | MAPT (0.64) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL13401792 | 0.75 | KDM4E (0.63) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL13673619 | 0.74 | ALDH1A1 (0.62) | ALDH1A1MAPTKDM4ESMN1; SMN2HPGD | |
| SCHEMBL13673617 | 0.74 | ALDH1A1 (0.62) | ALDH1A1MAPTKDM4ESMN1; SMN2HPGD | |
| SCHEMBL13401821 | 0.74 | LIG1 (0.75) | LIG1LIG3ALDH1A1MAPTKDM4E | |
| SCHEMBL7748695 | 0.73 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4ESMN1; SMN2HPGD | |
| SCHEMBL7748699 | 0.73 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4ESMN1; SMN2HPGD |
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-8445537-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | STC.UNM (US) | 2013-05-21 | — | — | US | disclosed |