Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 5/20 | 0.55 |
| ▸ | CALML3 | P27482 | 6/20 | 0.44 |
| ▸ | BPTF | Q12830 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SDHA | P31040 | 1/20 | 0.42 |
| ▸ | FADS1 | O60427 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4638720 | 1.00 | TSHR (0.57) | TSHRMAOACALML3BPTFMAOB | |
| SCHEMBL1224895 | 0.88 | MAOA (0.52) | TSHRMAOACALML3MAOBLMNA | |
| SCHEMBL5763989 | 0.88 | MAOA (0.52) | TSHRMAOACALML3MAOBLMNA | |
| SCHEMBL1224894 | 0.88 | MAOA (0.52) | TSHRMAOACALML3MAOBLMNA | |
| SCHEMBL4757201 | 0.82 | MAOA (0.61) | TSHRMAOACALML3MAOBLMNA | |
| SCHEMBL4637383 | 0.82 | FADS1 (0.60) | MAOAMAOBLMNAFADS1 | |
| SCHEMBL4637380 | 0.82 | FADS1 (0.60) | MAOAMAOBLMNAFADS1 | |
| SCHEMBL3038562 | 0.81 | MAOB (0.65) | TSHRMAOACALML3MAOBLMNA | |
| SCHEMBL4757260 | 0.81 | MAOB (0.47) | MAOACALML3MAOBLMNAPTGS1 | |
| SCHEMBL6616635 | 0.81 | MAOB (0.66) | MAOACALML3MAOBLMNAPTGS1 |
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 |