Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | THPO | P40225 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL7902616 | 0.87 | — | — | |
| SCHEMBL7894832 | 0.78 | S100B (0.35) | — | |
| SCHEMBL7903786 | 0.78 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL9751830 | 0.77 | EGFR (0.45) | LMNAEGFRERBB2HDAC6 | |
| SCHEMBL7902158 | 0.77 | ALDH1A1 (0.40) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL7903865 | 0.74 | MAPT (0.40) | ALDH1A1SMN1; SMN2LMNAMAPTMEN1 | |
| SCHEMBL7906473 | 0.74 | KMT2A (0.52) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL8726196 | 0.72 | CYP3A4 (0.46) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL5571448 | 0.71 | LTA4H (0.31) | — | |
| SCHEMBL23394728 | 0.71 | CYP3A4 (0.65) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6277880-B1 | ANTIBODY DIRECTED ENZYME PRODUG THERAPY | ZENECA LIMITED (GB) | 2001-08-21 | — | — | US | disclosed |
| 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 |
| US-5660829-A | DEESTERIFYING COMPOUND TO FORM N-(4(N,N-BIS(2-CHLOROETHYL) AMINO)PHENOXYCARBONYL)-L-GLUTAMIC ACID-GAMMA-(3,5-DICARBOXY)ANILIDE | ZENECA LIMITED (GB) | 1997-08-26 | — | — | US | disclosed |
| US-5587161-A | TWO COMPONENT SYSTEM INCLUDING ANTIBODY OR ANTIGEN BINDING FRAGMENT CONJUGATED TO CARBOXYPEPTIDASE G ENZYME, COMPOUND CONVERTIBLE TO CYTOTOXIC DRUG UNDER INFLUENCE OF ENZYME | ZENECA LIMITED (GB) | 1996-12-24 | — | — | US | 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 |