Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9254961 | 0.86 | NPC1 (0.50) | CYP3A4NPC1ALDH1A1POLBHPGD | |
| SCHEMBL6570808 | 0.81 | MAPT (0.54) | CYP3A4NPC1ALDH1A1POLBHPGD | |
| SCHEMBL8761909 | 0.80 | NPC1 (0.44) | CYP3A4NPC1ALDH1A1POLBHPGD | |
| SCHEMBL2977898 | 0.80 | MEN1 (0.44) | CYP3A4NPC1ALDH1A1POLBHPGD | |
| SCHEMBL9247590 | 0.77 | NPC1 (0.50) | CYP3A4NPC1ALDH1A1POLBHPGD | |
| SCHEMBL8620982 | 0.76 | ALDH1A1 (0.47) | CYP3A4NPC1ALDH1A1HPGDHSP90AA1 | |
| SCHEMBL13680345 | 0.76 | TDP1 (0.53) | CYP3A4NPC1ALDH1A1POLBHPGD | |
| Hydrochloric Acid SCHEMBL9251441 | 0.75 | LMNA (0.43) | CYP3A4NPC1ALDH1A1POLBHPGD | |
| SCHEMBL7812037 | 0.73 | NPC1 (0.52) | CYP3A4NPC1ALDH1A1POLBHPGD | |
| SCHEMBL6571297 | 0.73 | ALDH1A1 (0.47) | CYP3A4NPC1ALDH1A1POLBHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1109550-B1 | NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS | AUCKLAND UNISERVICES LTD (NZ) | 2004-11-24 | — | — | EP | disclosed |
| US-6517836-B1 | Aziridin-1-yl nitrobenzamides as prodrugs in conjunction with nitroreductase enzymes | AUCKLAND UNISERVICES LIMITED (NZ) | 2003-02-11 | — | — | US | disclosed |