Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15678782 | 0.83 | EPHX2 (0.52) | NPC1RAB9AEPHX2KMT2AMEN1 | |
| SCHEMBL13401881 | 0.82 | ATM (0.63) | KMT2APOLBPKMHTTMEN1 | |
| SCHEMBL23417451 | 0.80 | KMT2A (0.71) | KMT2APOLBHTTMEN1NPSR1 | |
| SCHEMBL26997994 | 0.80 | EPHX2 (0.48) | NPC1RAB9AEPHX2KMT2APOLB | |
| SCHEMBL3456023 | 0.78 | L3MBTL1 (0.66) | RAB9AEPHX2KMT2APOLBGAA | |
| SCHEMBL6446861 | 0.77 | EPHX2 (0.48) | NPC1RAB9AEPHX2KMT2APOLB | |
| SCHEMBL17335855 | 0.76 | HPGD (0.73) | NPC1RAB9AKMT2APOLBLMNA | |
| SCHEMBL16191644 | 0.76 | MAOB (0.55) | NPC1RAB9AKMT2APOLBGAA | |
| SCHEMBL6129078 | 0.75 | CA1 (0.49) | RAB9AEPHX2KMT2AMEN1LMNA | |
| SCHEMBL15975494 | 0.75 | EPHX1 (0.75) | NPC1RAB9AEPHX2KMT2APOLB |
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 |