Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | AGXT | P21549 | 2/20 | 0.32 |
| ▸ | GJB2 | P29033 | 1/20 | 0.32 |
| ▸ | GJA1 | P17302 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21387868 | 1.00 | CA1 (0.39) | CA1CA2CA9CYP2D6SMN1; SMN2 | |
| SCHEMBL21387904 | 0.84 | GJB2 (0.38) | CYP2C19IDO1AGXTGJB2GJA1 | |
| SCHEMBL17472212 | 0.84 | CYP2D6 (0.34) | CA1CA2CA9CYP2D6SMN1; SMN2 | |
| SCHEMBL21387848 | 0.72 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL17472164 | 0.72 | — | — | |
| SCHEMBL21387847 | 0.72 | — | — | |
| SCHEMBL17274148 | 0.70 | CYP2D6 (0.33) | CYP2D6SMN1; SMN2CYP2C19LMNAMAPK1 | |
| SCHEMBL17472165 | 0.70 | CYP2D6 (0.33) | CYP2D6SMN1; SMN2CYP2C19LMNAMAPK1 | |
| SCHEMBL7150003 | 0.68 | CA1 (0.52) | CA1CA2CA9LMNAALDH1A1 | |
| SCHEMBL7150000 | 0.68 | CA1 (0.52) | CA1CA2CA9LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3142672-B1 | AMPHOTERICIN B DERIVATIVE WITH REDUCED TOXICITY | UNIV ILLINOIS (US) | 2019-09-25 | — | — | EP | disclosed |