Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8678902 | 0.81 | CA1 (0.50) | KMT2ACA1CA2CA9CA4 | |
| SCHEMBL28061774 | 0.78 | HTR6 (0.42) | CA1CA2CA9CA4SIGMAR1 | |
| Fluoride SCHEMBL28061775 | 0.77 | HTR6 (0.41) | CA1CA2CA9CA4SIGMAR1 | |
| SCHEMBL7357359 | 0.74 | KMT2A (0.43) | KMT2ACA1CA2CA9CA4 | |
| SCHEMBL6616045 | 0.74 | KMT2A (0.43) | KMT2ACA1CA2CA9CA4 | |
| SCHEMBL14920544 | 0.71 | SLC6A4 (0.65) | CA1CA2CA9CA4SLC6A2 | |
| SCHEMBL7249296 | 0.69 | APLNR (0.46) | KMT2ACA1CA2CA9HPGD | |
| SCHEMBL28061742 | 0.69 | ALDH1A1 (0.32) | ALDH1A1MAPT | |
| SCHEMBL4608203 | 0.69 | KMT2A (0.55) | KMT2AHPGDTSHRHSD17B10MEN1 | |
| SCHEMBL28192205 | 0.68 | CYP2C19 (0.44) | SLC6A2SLC6A4SLC6A3SIGMAR1 |
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 |