Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | RET | P07949 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 2/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13401682 | 0.86 | CA1 (0.51) | EGFRKDRRETLCKKMT2A | |
| SCHEMBL17815595 | 0.72 | PRMT1 (0.69) | EGFRKDRMEN1KMT2ALMNA | |
| SCHEMBL21851667 | 0.71 | EGFR (0.48) | EGFRKDRRETLCKMEN1 | |
| SCHEMBL8628088 | 0.67 | MAPT (0.53) | EGFRMEN1NPC1RAB9AKMT2A | |
| SCHEMBL14027291 | 0.67 | HTT (0.68) | EGFRNPC1KMT2ALMNAHTT | |
| SCHEMBL4927860 | 0.67 | CA1 (0.69) | EGFRCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL12305510 | 0.67 | CA1 (0.48) | MEN1NPC1RAB9AKMT2ALMNA | |
| SCHEMBL1324570 | 0.66 | EGFR (0.51) | EGFRKMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL21858751 | 0.64 | MAPT (0.55) | MEN1KMT2ALMNAHTTSMN1; SMN2 | |
| SCHEMBL13604745 | 0.63 | EGFR (0.82) | EGFRKDRRETLCKBRAF |
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 |