Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | F13A1 | P00488 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2873165 | 0.88 | ALDH1A1 (0.38) | ALDH1A1GBA1EPHX1HDAC2 | |
| SCHEMBL10793140 | 0.72 | TSHR (0.46) | ALDH1A1GBA1 | |
| SCHEMBL29773095 | 0.68 | SLC6A2 (0.51) | EPHX1F13A1TGM2LMNASLC9A1 | |
| SCHEMBL29173084 | 0.67 | ALDH1A1 (0.65) | ALDH1A1GBA1KDM1A | |
| SCHEMBL10759556 | 0.67 | ALDH1A1 (0.65) | ALDH1A1GBA1KDM1A | |
| SCHEMBL34420063 | 0.67 | TACR1 (0.33) | ALDH1A1GBA1EPHX1KDM1A | |
| SCHEMBL8339724 | 0.66 | EPHX1 (0.62) | EPHX1F13A1TGM2LMNASLC9A1 | |
| SCHEMBL8376293 | 0.66 | EPHX1 (0.62) | EPHX1F13A1TGM2LMNASLC9A1 | |
| SCHEMBL14505973 | 0.66 | — | — | |
| SCHEMBL8487315 | 0.66 | EPHX1 (0.62) | EPHX1F13A1TGM2LMNASLC9A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1937655-A1 | HIV-1 PROTEASE INHIBITORS, AND METHODS OF MAKING AND USING THEM | University of Massachusetts (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007002173-A1 | HIV-1 PROTEASE INHIBITORS, AND METHODS OF MAKING AND USING THEM | UNIVERSITY OF MASSACHUSETTS (US) | 2007-01-04 | — | — | WO | disclosed |