Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | CRHBP | P24387 | 1/20 | 0.56 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL13401700 | 0.90 | ALDH1A1 (0.82) | KMT2AALDH1A1NPC1KDM4EMEN1 | |
| SCHEMBL4204174 | 0.74 | ALDH1A1 (0.72) | KMT2AALDH1A1NPC1MEN1GAA | |
| SCHEMBL4214358 | 0.74 | LMNA (0.71) | KMT2AALDH1A1NPC1MEN1GAA | |
| SCHEMBL11887417 | 0.70 | KMT2A (0.80) | KMT2AALDH1A1NPC1MEN1MAPT | |
| SCHEMBL6405241 | 0.68 | L3MBTL1 (0.84) | KMT2AALDH1A1MEN1MAPTHPGD | |
| SCHEMBL6404334 | 0.68 | GAA (0.71) | KMT2AALDH1A1NPC1KDM4EMEN1 | |
| SCHEMBL6407491 | 0.68 | PKM (0.60) | KMT2AALDH1A1NPC1KDM4EGAA | |
| SCHEMBL6405274 | 0.67 | GAA (0.74) | KMT2AALDH1A1NPC1MEN1GAA | |
| SCHEMBL6412252 | 0.65 | PKM (0.56) | KMT2AALDH1A1KDM4EMEN1GAA | |
| SCHEMBL5968206 | 0.65 | ALDH1A1 (0.54) | KMT2AALDH1A1NPC1MEN1GAA |
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 |