Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 3/20 | 0.86 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.66 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.66 |
| ▸ | MEN1 | O00255 | 7/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.57 |
| ▸ | RECQL | P46063 | 4/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.57 |
| ▸ | BLM | P54132 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | NSD2 | O96028 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | USP2 | O75604 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.57 |
| ▸ | TOP2A | P11388 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL32690213 | 1.00 | NQO1 (0.86) | NQO1TOP2BSMN1; SMN2HIF1ABRCA1 | |
| Hydrochloric Acid SCHEMBL10961519 | 0.89 | NQO1 (0.69) | NQO1TOP2BSMN1; SMN2HIF1ABRCA1 | |
| SCHEMBL18567079 | 0.84 | TOP2B (0.86) | NQO1TOP2BSMN1; SMN2HIF1ABRCA1 | |
| SCHEMBL8118765 | 0.83 | TOP2B (0.71) | NQO1TOP2BSMN1; SMN2HIF1ABRCA1 | |
| SCHEMBL10604111 | 0.82 | BRCA1 (0.70) | NQO1TOP2BSMN1; SMN2HIF1ABRCA1 | |
| SCHEMBL20334290 | 0.82 | NQO1 (0.67) | NQO1TOP2BSMN1; SMN2HIF1ABRCA1 | |
| Ametantrone SCHEMBL29723071 | 0.82 | TOP2B (1.00) | NQO1TOP2BSMN1; SMN2HIF1ABRCA1 | |
| Ametantrone SCHEMBL3344151 | 0.82 | TOP2B (1.00) | NQO1TOP2BSMN1; SMN2HIF1ABRCA1 | |
| Hydrochloric Acid SCHEMBL11041980 | 0.80 | TOP2B (0.97) | NQO1TOP2BSMN1; SMN2HIF1ABRCA1 | |
| Mitoxantrone SCHEMBL187688 | 0.80 | MEN1 (0.84) | NQO1TOP2BSMN1; SMN2HIF1ABRCA1 |
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-20170058314-A1 | NOVEL METHODOLOGY FOR IDENTIFYING ANTI-PERSISTER ACTIVITY AND ANTIMICROBIAL SUSCEPTIBILITY FOR BORRELIA BURGDORFERI AND OTHER BACTERIA | ZHANG YING (US) | 2017-03-02 | — | — | US | disclosed |