Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.71 |
| ▸ | TERT | O14746 | 2/20 | 0.62 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | NSD2 | O96028 | 2/20 | 0.55 |
| ▸ | APAF1 | O14727 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | GSK3A | P49840 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22196771 | 0.94 | NQO1 (0.65) | NQO1TERTMALT1KMT2AMEN1 | |
| SCHEMBL22196654 | 0.94 | NQO1 (0.65) | NQO1TERTMALT1KMT2AMEN1 | |
| SCHEMBL17241822 | 0.94 | NQO1 (0.68) | NQO1TERTMALT1KMT2AMEN1 | |
| SCHEMBL17241793 | 0.93 | NQO1 (0.64) | NQO1TERTMALT1KMT2AMEN1 | |
| SCHEMBL18623985 | 0.93 | NQO1 (0.64) | NQO1TERTMALT1KMT2AMEN1 | |
| SCHEMBL20334354 | 0.93 | NQO1 (0.77) | NQO1TERTMALT1KMT2AMEN1 | |
| SCHEMBL9239538 | 0.92 | MALT1 (0.66) | NQO1TERTMALT1KMT2AMEN1 | |
| SCHEMBL17241777 | 0.91 | NQO1 (0.61) | NQO1TERTMALT1KMT2AMEN1 | |
| SCHEMBL17241828 | 0.90 | NQO1 (0.60) | NQO1TERTMALT1KMT2AMEN1 | |
| SCHEMBL17241769 | 0.90 | TOP2B (0.66) | NQO1TERTMALT1KMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5436243-A | Aminoanthraquinone derivatives to combat multidrug resistance | RESEARCH TRIANGLE INSTITUTE DUKE UNIVERSITY (US) | 1995-07-25 | — | — | US | disclosed |
| WO-1995013813-A1 | AMINOANTHRAQUINONE DERIVATIVES TO COMBAT MULTIDRUG RESISTANCE | DUKE UNIVERSITY (US) | 1995-05-26 | — | — | WO | disclosed |