Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CTSG | P08311 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5369302 | 0.91 | CYP3A4 (0.59) | CYP3A4CYP2C9TSHRCYP2C19EPHX2 | |
| SCHEMBL28193990 | 0.86 | ALDH1A1 (0.58) | CYP3A4CYP2C9TSHRCYP2C19EPHX2 | |
| SCHEMBL8767072 | 0.86 | TSHR (0.63) | CYP3A4CYP2C9TSHRCYP2C19EPHX2 | |
| SCHEMBL19375077 | 0.84 | TSHR (0.66) | CYP3A4CYP2C9TSHRCYP2C19EPHX2 | |
| SCHEMBL14818738 | 0.84 | TSHR (0.71) | CYP3A4CYP2C9TSHRCYP2C19EPHX2 | |
| SCHEMBL8903216 | 0.84 | TSHR (0.66) | CYP3A4CYP2C9TSHRCYP2C19EPHX2 | |
| SCHEMBL8514786 | 0.82 | TSHR (0.75) | CYP3A4CYP2C9TSHRCYP2C19EPHX2 | |
| SCHEMBL28884386 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP2C9TSHRCYP2C19EPHX2 | |
| SCHEMBL12656055 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2C9TSHRCYP2C19EPHX2 | |
| SCHEMBL3632958 | 0.81 | TSHR (0.52) | CYP3A4CYP2C9TSHRCYP2C19EPHX2 |
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-105601641-B | 7 piperazine sulfonamide camptothecine compounds, Preparation method and uses | 兰州大学 | 2018-01-16 | — | — | CN | disclosed |
| CN-105601641-A | 7-position piperazine sulfonamide camptothecin compounds, preparation method and application | UNIV LANZHOU | 2016-05-25 | — | — | CN | disclosed |