Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 8/20 | 0.61 |
| ▸ | RAB9A | P51151 | 8/20 | 0.61 |
| ▸ | MEN1 | O00255 | 8/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.61 |
| ▸ | SCD | O00767 | 5/20 | 0.61 |
| ▸ | MMP13 | P45452 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.59 |
| ▸ | RELA | Q04206 | 2/20 | 0.59 |
| ▸ | DHODH | Q02127 | 3/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL4910888 | 0.90 | KMT2A (0.71) | TOP1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4917465 | 0.87 | TOP1 (0.70) | TOP1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL30576828 | 0.81 | TOP1 (0.66) | TOP1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL26606518 | 0.81 | TOP1 (0.66) | TOP1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL30553332 | 0.80 | NPC1 (0.78) | TOP1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4920234 | 0.79 | SCD (0.73) | TOP1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL14807588 | 0.79 | TOP1 (0.74) | TOP1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4918578 | 0.78 | SCD (0.69) | TOP1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3053529 | 0.77 | NPC1 (1.00) | TOP1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL5732423 | 0.76 | SCD (0.69) | TOP1NPC1RAB9AMEN1KMT2A |
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 |