Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 5/20 | 0.50 |
| ▸ | IDH1 | O75874 | 1/20 | 0.50 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28375669 | 0.89 | IDH1 (0.49) | KCNA5IDH1KCNE1LMNATP53 | |
| SCHEMBL28373983 | 0.89 | IDH1 (0.46) | KCNA5IDH1KCNE1LMNATP53 | |
| SCHEMBL28373770 | 0.89 | IDH1 (0.44) | KCNA5IDH1KCNE1LMNATP53 | |
| SCHEMBL28377475 | 0.86 | BRAF (0.50) | KCNA5IDH1KCNE1LMNATP53 | |
| SCHEMBL28378372 | 0.84 | LMNA (0.50) | KCNA5IDH1KCNE1LMNATP53 | |
| SCHEMBL1242030 | 0.77 | KCNA5 (0.49) | KCNA5IDH1KCNE1LMNATP53 | |
| SCHEMBL16464338 | 0.74 | L3MBTL1 (0.49) | KCNA5IDH1KCNE1LMNATP53 | |
| SCHEMBL16461215 | 0.74 | DPP4 (0.56) | KCNA5IDH1KCNE1LMNATP53 | |
| SCHEMBL14773209 | 0.73 | CYP3A4 (0.61) | KCNA5KCNE1LMNAL3MBTL1SMN1; SMN2 | |
| SCHEMBL30275033 | 0.71 | L3MBTL1 (0.47) | KCNA5IDH1KCNE1LMNATP53 |
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-110804013-B | Synthesis method of ortho diamine compound | 南京工业大学 | 2024-04-05 | — | — | CN | disclosed |
| CN-110804013-A | Synthesis method of ortho-diamine compound | 南京工业大学 | 2020-02-18 | — | — | CN | disclosed |