Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.38 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL144462 | 0.90 | TNF (0.44) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL2265426 | 0.83 | GSTP1 (0.46) | MCL1ACMSDHSD17B1HSD17B2EDNRB | |
| SCHEMBL24816033 | 0.80 | CA12 (0.56) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL29892508 | 0.80 | CA12 (0.56) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL29628965 | 0.80 | CA12 (0.56) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL6274844 | 0.80 | ALDH1A1 (0.33) | MCL1ALDH1A1HPGDATML3MBTL1 | |
| SCHEMBL2268337 | 0.78 | CYP1A2 (0.41) | CA12CA1CA2CA9MAPT | |
| SCHEMBL2450625 | 0.78 | MCL1 (0.45) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL9958337 | 0.78 | HPRT1 (0.39) | CA12CA1CA2CA9TNF | |
| SCHEMBL2446276 | 0.78 | CA12 (0.41) | CA12CA1CA2CA9MCL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011163610-A2 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2011-12-29 | — | — | WO | disclosed |