Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | ZDHHC7 | Q9NXF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4753412 | 1.00 | ABCB1 (0.43) | ABCB1CA1CA2SMN1; SMN2POLB | |
| SCHEMBL4753977 | 0.80 | CTSS (0.35) | CA1CA2NOS3NOS1NOS2 | |
| SCHEMBL15512182 | 0.76 | CA1 (0.38) | ABCB1CA1CA2SMN1; SMN2MEN1 | |
| SCHEMBL14920295 | 0.75 | ABCB1 (0.33) | ABCB1CA1CA2POLBMAPT | |
| SCHEMBL8097437 | 0.73 | CA1 (0.42) | CA1CA2SMN1; SMN2POLBNOS3 | |
| SCHEMBL9458330 | 0.73 | CA1 (0.42) | CA1CA2SMN1; SMN2POLBNOS3 | |
| Alcohol SCHEMBL2688496 | 0.72 | SMN1; SMN2 (0.42) | ABCB1CA1CA2SMN1; SMN2MEN1 | |
| SCHEMBL23130209 | 0.72 | CA1 (0.35) | ABCB1CA1CA2SMN1; SMN2POLB | |
| SCHEMBL15512181 | 0.71 | SMN1; SMN2 (0.50) | CA1CA2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL27382 | 0.71 | — | — |
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-2008151306-A1 | SYNTHESIS OF CYCLODEPSIPEPTIDE COMPOUNDS HAVING ANTINEOPLASTIC AND/OR ANTIMICROBIAL ACTIVITY | ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2008-12-11 | — | — | WO | disclosed |