Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.61 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.61 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 13/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 13/20 | 0.53 |
| ▸ | MAPT | P10636 | 11/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.53 |
| ▸ | POLB | P06746 | 4/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 3/20 | 0.48 |
| ▸ | GFER | P55789 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15145056 | 0.86 | ALDH1A1 (0.59) | ALDH1A1ALDH3A1ALDH1A3GAAKDM4E | |
| SCHEMBL14305629 | 0.82 | ALDH1A1 (0.59) | ALDH1A1ALDH3A1ALDH1A3GAAKDM4E | |
| SCHEMBL12526118 | 0.82 | ALDH1A1 (0.59) | ALDH1A1ALDH3A1ALDH1A3GAAKDM4E | |
| SCHEMBL8441229 | 0.81 | ALDH1A1 (0.63) | ALDH1A1ALDH3A1ALDH1A3GAAKDM4E | |
| SCHEMBL8441231 | 0.81 | ALDH1A1 (0.63) | ALDH1A1ALDH3A1ALDH1A3GAAKDM4E | |
| SCHEMBL10981269 | 0.81 | ALDH1A1 (0.58) | ALDH1A1ALDH3A1ALDH1A3GAAKDM4E | |
| SCHEMBL10981268 | 0.81 | ALDH1A1 (0.58) | ALDH1A1ALDH3A1ALDH1A3GAAKDM4E | |
| SCHEMBL10629619 | 0.80 | ALDH1A1 (0.56) | ALDH1A1ALDH3A1ALDH1A3GAAKDM4E | |
| SCHEMBL26332147 | 0.80 | ALDH1A1 (0.56) | ALDH1A1ALDH3A1ALDH1A3GAAKDM4E | |
| SCHEMBL222105 | 0.78 | ALDH1A1 (0.64) | ALDH1A1ALDH3A1ALDH1A3GAAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9745335-B2 | N-substituted second generation derivatives of antifungal antibiotic amphotericin B and methods of their preparation and application | BLIRT S.A. (PL) | 2017-08-29 | — | — | US | disclosed |