Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | THPO | P40225 | 2/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18751674 | 0.80 | CES1 (0.46) | L3MBTL1ALDH1A1LMNATSHRPTGS1 | |
| SCHEMBL8238795 | 0.79 | ALDH1A1 (0.48) | NPSR1CNR2ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL12102412 | 0.79 | NR3C1 (0.50) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL7472261 | 0.77 | CYP4F2 (0.62) | L3MBTL1ALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL16980999 | 0.77 | NR1H4 (0.38) | AOC3NPSR1L3MBTL1CNR2ALDH1A1 | |
| SCHEMBL16722805 | 0.74 | ELANE (0.52) | L3MBTL1ALDH1A1SMN1; SMN2LMNAALOX15 | |
| SCHEMBL6243535 | 0.73 | MAPT (0.44) | NPSR1L3MBTL1ALDH1A1SMN1; SMN2HIF1A | |
| SCHEMBL11389533 | 0.72 | HPGD (0.55) | L3MBTL1ALDH1A1SMN1; SMN2LMNATDP1 | |
| SCHEMBL18116111 | 0.72 | CA2 (0.56) | ALDH1A1HIF1ALMNAMAPTNFKB1 | |
| SCHEMBL43229 | 0.72 | LPL (0.40) | NPSR1L3MBTL1CNR2ALDH1A1SMN1; SMN2 |
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-0651740-B1 | AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS | ZENECA LTD (GB) | 1998-10-21 | — | — | EP | disclosed |
| EP-0651740-A1 | AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS | ZENECA LIMITED (GB) | 1995-05-10 | — | — | EP | disclosed |
| US-5405990-A | For use in antibody directed enzyme prodrug therapy; cytotoxic parent nitrogen mustard; antitumor agents | ZENECA LIMITED (GB) | 1995-04-11 | — | — | US | disclosed |
| WO-1994002450-A1 | AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS | ZENECA LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |