Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | THPO | P40225 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23394728 | 0.81 | CYP3A4 (0.65) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL7906473 | 0.76 | KMT2A (0.52) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL12102434 | 0.75 | EGFR (0.49) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL9296949 | 0.75 | CYP3A4 (0.60) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL1056862 | 0.74 | CYP3A4 (0.46) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL7902174 | 0.72 | CYP3A4 (0.37) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL7465257 | 0.70 | CYP4F2 (0.51) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL9751830 | 0.69 | EGFR (0.45) | LMNAHDAC6EGFRERBB2 | |
| SCHEMBL9250356 | 0.69 | LTA4H (0.43) | KMT2AALOX15PMP22MEN1CYP1A2 | |
| SCHEMBL17941638 | 0.69 | LTA4H (0.40) | LTA4HHDAC6HDAC2 |
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 1 patent. 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 |