Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1911479 | 0.76 | CA12 (0.52) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL27368364 | 0.69 | — | — | |
| SCHEMBL27914527 | 0.69 | — | — | |
| SCHEMBL28788033 | 0.69 | L3MBTL1 (0.44) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL21129986 | 0.69 | ALDH1A1 (0.39) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL21130051 | 0.69 | ALDH1A1 (0.39) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL20028538 | 0.69 | MGAM (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL12589581 | 0.67 | CA12 (0.59) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL196815 | 0.67 | — | — | |
| SCHEMBL450298 | 0.67 | — | — |
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-101878208-A | Quinoxaline-type-piperidine compounds that replaces and uses thereof | PURDUE PHARMA LP | 2010-11-03 | — | — | CN | disclosed |