Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | THPO | P40225 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1066049 | 0.88 | EGFR (0.49) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL9248362 | 0.87 | EGFR (0.47) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL28280620 | 0.83 | EGFR (0.58) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL13338130 | 0.80 | EGFR (0.48) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL9100336 | 0.78 | CNR2 (0.38) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL6510354 | 0.78 | CA2 (0.53) | EGFRERBB2LMNACA12CA1 | |
| SCHEMBL9163920 | 0.77 | EGFR (0.53) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL16240875 | 0.77 | ALDH1A1 (0.38) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL1543408 | 0.76 | HPGD (0.50) | ALDH1A1SMN1; SMN2CYP3A4LMNAMAPT | |
| SCHEMBL12782495 | 0.75 | CNR2 (0.42) | ALDH1A1LMNAALOX15KDM4ETSHR |
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-0490970-B1 | NEW ROUTE OF SYNTHESIS FOR PROTECTED NITROGEN MUSTARD PRODRUGS | CANCER RES CAMPAIGN TECH (GB) | 1995-03-29 | — | — | EP | disclosed |
| US-5387707-A | Reacting methanesulfonyl chloride with N-(2-chloroethyl)-N-(2-hydroxyethyl) aniline derivatives | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1995-02-07 | — | — | US | disclosed |
| EP-0490970-A1 | NEW ROUTE OF SYNTHESIS FOR PROTECTED NITROGEN MUSTARD PRODRUGS. | MANN JOHN (GB) | 1992-06-24 | — | — | EP | disclosed |
| WO-1991003460-A1 | NEW ROUTE OF SYNTHESIS FOR TERTIARY ALKYL ESTERS | MANN JOHN (GB) | 1991-03-21 | — | — | WO | disclosed |