Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 3/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10088209 | 0.76 | ALDH1A1 (0.63) | CA1CA2CA12CA9KMT2A | |
| SCHEMBL10690339 | 0.76 | ALDH1A1 (0.50) | CA1CA2CA12CA9KMT2A | |
| Carbimide SCHEMBL28250589 | 0.74 | CA1 (0.61) | CA1CA2CA12CA9KMT2A | |
| SCHEMBL4499888 | 0.72 | CA1 (0.67) | CA1CA2CA12CA9KMT2A | |
| SCHEMBL28250680 | 0.72 | ALDH1A1 (0.45) | CA1CA2CA12CA9KMT2A | |
| Cyanide SCHEMBL31126058 | 0.72 | ALDH1A1 (0.47) | CA1CA2CA12CA9KMT2A | |
| SCHEMBL28048024 | 0.72 | CA1 (0.60) | CA1CA2CA12CA9KMT2A | |
| Acedapsone SCHEMBL152710 | 0.71 | PKM (0.85) | CA1CA2CA12CA9KMT2A | |
| SCHEMBL10272491 | 0.71 | F2 (0.66) | CA1CA2CA12CA9KMT2A | |
| SCHEMBL8009645 | 0.70 | CA1 (0.69) | CA1CA2CA12CA9KMT2A |
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-108623498-A | A kind of 1- ethyls -3-（3- dimethylaminopropyls）The synthetic method of carbodiimides fragrant sulfonate | 浙江普康化工有限公司 | 2018-10-09 | — | — | CN | disclosed |