Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.70 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.70 |
| ▸ | ACHE | P22303 | 1/20 | 0.70 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.70 |
| ▸ | DRD3 | P35462 | 1/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| Metamelfalan SCHEMBL30781236 | 1.00 | CYP3A4 (0.70) | CYP3A4ALOX15HIF1APTGS1ALDH1A1 | |
| Metamelfalan SCHEMBL2015272 | 1.00 | CYP3A4 (0.70) | CYP3A4ALOX15HIF1APTGS1ALDH1A1 | |
| Metamelfalan SCHEMBL2015275 | 1.00 | CYP3A4 (0.70) | CYP3A4ALOX15HIF1APTGS1ALDH1A1 | |
| Melphalan SCHEMBL4984726 | 0.84 | HIF1A (0.91) | CYP3A4ALOX15HIF1APTGS1ALDH1A1 | |
| SCHEMBL18427979 | 0.84 | IDO1 (0.57) | CYP3A4ALOX15HIF1APTGS1ALDH1A1 | |
| SCHEMBL19714971 | 0.84 | IDO1 (0.57) | CYP3A4ALOX15HIF1APTGS1ALDH1A1 | |
| SCHEMBL18427948 | 0.84 | IDO1 (0.57) | CYP3A4ALOX15HIF1APTGS1ALDH1A1 | |
| SCHEMBL6843476 | 0.83 | SMN1; SMN2 (0.53) | CYP3A4ALOX15HIF1APTGS1ALDH1A1 | |
| SCHEMBL2778981 | 0.83 | NOS3 (0.56) | CYP3A4ALOX15HIF1APTGS1ALDH1A1 | |
| SCHEMBL2778977 | 0.83 | NOS3 (0.56) | CYP3A4ALOX15HIF1APTGS1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6767992-B1 | USED FOR CHEMOTHERAPY AGAINST CANCERS AND IS USED ESPECIALLY FOR MELANOMAS | PTC PHARMA AG (CH) | 2004-07-27 | — | — | US | disclosed |