Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.80 |
| ▸ | PKM | P14618 | 5/20 | 0.80 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.79 |
| ▸ | CA12 | O43570 | 2/20 | 0.76 |
| ▸ | CA1 | P00915 | 2/20 | 0.76 |
| ▸ | CA2 | P00918 | 2/20 | 0.76 |
| ▸ | CA9 | Q16790 | 2/20 | 0.76 |
| ▸ | PPARG | P37231 | 1/20 | 0.73 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.73 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.73 |
| ▸ | RECQL | P46063 | 1/20 | 0.73 |
| ▸ | FKBP4 | Q02790 | 1/20 | 0.72 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.72 |
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.71 |
| ▸ | TP53 | P04637 | 3/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.71 |
| ▸ | RAB9A | P51151 | 2/20 | 0.71 |
| ▸ | USP2 | O75604 | 4/20 | 0.71 |
| ▸ | MAPT | P10636 | 3/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL16197021 | 0.90 | USP2 (0.81) | ALDH1A1PKMNPSR1CA12CA1 | |
| SCHEMBL16197441 | 0.89 | ALDH1A1 (1.00) | ALDH1A1PKMNPSR1CA12CA1 | |
| SCHEMBL16197523 | 0.87 | ALDH1A1 (0.81) | ALDH1A1PKMNPSR1CA12CA1 | |
| SCHEMBL16197300 | 0.84 | PPARG (0.79) | ALDH1A1PKMNPSR1CA12CA1 | |
| SCHEMBL16197098 | 0.84 | USP2 (0.98) | ALDH1A1PKMNPSR1CA12CA1 | |
| SCHEMBL16197271 | 0.82 | USP2 (0.82) | ALDH1A1PKMNPSR1CA12CA1 | |
| SCHEMBL16197212 | 0.82 | ALDH1A1 (0.83) | ALDH1A1PKMNPSR1CA12CA1 | |
| SCHEMBL16197341 | 0.81 | USP2 (0.83) | ALDH1A1PKMNPSR1CA12CA1 | |
| SCHEMBL16197287 | 0.81 | ALDH1A1 (0.78) | ALDH1A1PKMNPSR1CA12CA1 | |
| SCHEMBL16197389 | 0.80 | ALDH1A1 (0.82) | ALDH1A1PKMNPSR1CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014173904-A1 | COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY | VIB VZW (BE) | 2014-10-30 | — | — | WO | disclosed |
| WO-2014173904-A1 | COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY | VIB VZW (BE) | 2014-10-30 | — | — | WO | disclosed |