Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.40 |
| ▸ | ESR1 | P03372 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28924534 | 0.85 | ALDH1A1 (0.55) | ALDH1A1ESR2ESR1CYP3A4ALOX15 | |
| SCHEMBL7903843 | 0.83 | CYP3A4 (0.39) | ALDH1A1ESR2ESR1CYP3A4CHRM1 | |
| SCHEMBL380688 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTMEN1KMT2AGAA | |
| Hydrochloric Acid SCHEMBL7902755 | 0.81 | CYP3A4 (0.38) | ESR2ESR1CYP3A4CHRM1ALOX15 | |
| SCHEMBL855950 | 0.79 | PDE10A (0.44) | ALDH1A1CYP3A4ALOX15TSHRACHE | |
| SCHEMBL2290043 | 0.77 | ESR1 (0.36) | ALDH1A1ESR2ESR1CYP3A4MAPT | |
| SCHEMBL7530175 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CYP3A4ALOX15TSHRRECQL | |
| SCHEMBL11792307 | 0.75 | ALDH1A1 (0.49) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL19594987 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TSHRMEN1KMT2ARAB9A | |
| SCHEMBL628764 | 0.74 | ALOX5 (0.41) | ESR2ESR1CYP3A4TSHRRECQL |
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 6 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 |
| US-5958971-A | PRODRUGS OF NITROGEN MUSTARD, AN ANTICARCINOGENIC AND TUMOR AGENT; ANTIBODY DIRECTED ENZYME PRODRUG THERAPY (ADEPT); BIOCHEMICAL CONJUGATION | ZENECA LIMITED (GB) | 1999-09-28 | — | — | 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 |
| 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 |