Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CPA1 | P15085 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7299012 | 0.76 | SMN1; SMN2 (0.38) | SMN1; SMN2ALDH1A1TP53NPSR1LMNA | |
| SCHEMBL5493822 | 0.75 | DPP4 (0.33) | — | |
| SCHEMBL5493827 | 0.75 | DPP4 (0.33) | — | |
| SCHEMBL5489340 | 0.75 | DPP7 (0.41) | CYP1A2 | |
| SCHEMBL5489331 | 0.75 | DPP7 (0.41) | CYP1A2 | |
| SCHEMBL22511373 | 0.72 | — | — | |
| SCHEMBL5495019 | 0.71 | SMN1; SMN2 (0.35) | SMN1; SMN2 | |
| SCHEMBL25430553 | 0.71 | MAPT (0.46) | MAPT | |
| SCHEMBL355916 | 0.70 | MAPT (0.35) | MAPT | |
| SCHEMBL13485771 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5935976-A | Antiviral ethers of aspartate protease substrate isosteres | NOVARTIS CORPORATION (US) | 1999-08-10 | — | — | US | disclosed |
| US-5807891-A | RETROVIRUSES | NOVARTIS AG (CH) | 1998-09-15 | — | — | US | disclosed |
| US-5663200-A | CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES | CIBA-GEIGY CORPORATION (US) | 1997-09-02 | — | — | US | disclosed |
| EP-0708085-A2 | Antiviral ethers of aspartate protease substrate isosteres | CIBA-GEIGY AG (CH) | 1996-04-24 | — | — | EP | disclosed |