Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL667585 | 0.88 | TSHR (0.54) | KMT2ATSHRCASP1TDP1KDM4E | |
| SCHEMBL6534956 | 0.85 | VCAM1 (0.46) | KMT2ATSHRVCAM1CASP1TDP1 | |
| SCHEMBL8063524 | 0.85 | VCAM1 (0.46) | KMT2ATSHRVCAM1CASP1TDP1 | |
| SCHEMBL1625522 | 0.84 | KMT2A (0.51) | KMT2AATMTSHRCASP1TDP1 | |
| SCHEMBL29702010 | 0.79 | ALDH1A1 (0.56) | TSHRVCAM1TDP1CYP3A4ALDH1A1 | |
| SCHEMBL7514813 | 0.79 | ALDH1A1 (0.56) | TSHRVCAM1TDP1CYP3A4ALDH1A1 | |
| SCHEMBL8070792 | 0.79 | KMT2A (0.50) | KMT2ATSHRTDP1KDM4EPOLB | |
| SCHEMBL5576910 | 0.79 | LMNA (0.46) | KMT2ATSHRTDP1KDM4EPOLB | |
| SCHEMBL1455321 | 0.79 | KMT2A (0.48) | KMT2AATMTSHRVCAM1CASP1 | |
| SCHEMBL6570940 | 0.79 | KMT2A (0.48) | KMT2AATML3MBTL1LMNAGAA |
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 4 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 |
| EP-1109550-A2 | NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000013683-A2 | NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-03-16 | — | — | WO | disclosed |