Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | F2 | P00734 | 3/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28592429 | 0.83 | F2 (0.56) | KMT2AMEN1F2PRSS1PRSS2 | |
| SCHEMBL1181019 | 0.76 | KMT2A (0.63) | KMT2AMEN1F2PRSS1PRSS2 | |
| SCHEMBL9195631 | 0.76 | KMT2A (0.63) | KMT2AMEN1F2PRSS1PRSS2 | |
| SCHEMBL8014864 | 0.76 | KMT2A (0.68) | KMT2AMEN1F2PRSS1PRSS2 | |
| SCHEMBL999377 | 0.76 | KMT2A (0.68) | KMT2AMEN1F2PRSS1PRSS2 | |
| SCHEMBL28107383 | 0.75 | CA1 (0.51) | KMT2AMEN1F2PRSS1PRSS2 | |
| SCHEMBL29028956 | 0.75 | POLB (0.44) | KMT2AMEN1CA1CA2ALDH1A1 | |
| SCHEMBL6848738 | 0.73 | CA1 (0.60) | KMT2AMEN1F2PRSS1PRSS2 | |
| SCHEMBL8712210 | 0.73 | KMT2A (0.59) | KMT2AMEN1F2PRSS1PRSS2 | |
| SCHEMBL8196130 | 0.73 | CA1 (0.50) | F2PRSS1PRSS2PRSS3CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105777746-B | The preparation method of simultaneously [3,4 d] pyrimidine derivatives of 5,6,7,8 tetrahydropyridines with antifungal activity | 河南师范大学 | 2018-03-20 | — | — | CN | disclosed |