Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 5/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.65 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.65 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.65 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.65 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.65 |
| ▸ | ACHE | P22303 | 1/20 | 0.65 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.65 |
| ▸ | DRD3 | P35462 | 1/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL29038250 | 0.85 | CYP3A4 (0.47) | HIF1ACYP3A4ALOX15PTGS1ALDH1A1 | |
| SCHEMBL668464 | 0.82 | HIF1A (0.60) | HIF1ACYP3A4ALOX15PTGS1ALDH1A1 | |
| SCHEMBL29588566 | 0.81 | HIF1A (0.68) | HIF1ACYP3A4ALOX15PTGS1ALDH1A1 | |
| SCHEMBL2778090 | 0.81 | HIF1A (0.68) | HIF1ACYP3A4ALOX15PTGS1ALDH1A1 | |
| SCHEMBL2778088 | 0.81 | HIF1A (0.68) | HIF1ACYP3A4ALOX15PTGS1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7613469 | 0.80 | HIF1A (0.66) | HIF1ACYP3A4ALOX15PTGS1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7613467 | 0.80 | HIF1A (0.66) | HIF1ACYP3A4ALOX15PTGS1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7613475 | 0.80 | HIF1A (0.66) | HIF1ACYP3A4ALOX15PTGS1ALDH1A1 | |
| SCHEMBL10692268 | 0.80 | NR3C1 (0.47) | HIF1APTGS1ALDH1A1SMN1; SMN2KDM4E | |
| Melphalan SCHEMBL4697634 | 0.79 | HIF1A (0.94) | HIF1ACYP3A4ALOX15PTGS1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116283627-A | Synthesis method of melphalan impurity G | 深圳市江川医药技术有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-116283627-A | Synthesis method of melphalan impurity G | 深圳市江川医药技术有限公司 | 2023-06-23 | — | — | CN | disclosed |