Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | GSR | P00390 | 1/20 | 0.58 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 6/20 | 0.41 |
| ▸ | NOS1 | P29475 | 5/20 | 0.41 |
| ▸ | NOS3 | P29474 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ARG2 | P78540 | 4/20 | 0.41 |
| ▸ | ARG1 | P05089 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Dl-Penicillamine SCHEMBL16011677 | 1.00 | ALDH1A1 (0.62) | ALDH1A1MAPTPTGS1GSRCPB2 | |
| Lysine SCHEMBL2325000 | 0.95 | GSR (0.67) | ALDH1A1MAPTPTGS1GSRCPB2 | |
| Lysine SCHEMBL2325003 | 0.95 | GSR (0.67) | ALDH1A1MAPTPTGS1GSRCPB2 | |
| Dl-Penicillamine SCHEMBL21768465 | 0.82 | PTGS1 (0.67) | ALDH1A1MAPTPTGS1GSRKMT2A | |
| Penicillamine SCHEMBL6333581 | 0.82 | PTGS1 (0.67) | ALDH1A1MAPTPTGS1GSRKMT2A | |
| Dl-Penicillamine SCHEMBL6333584 | 0.82 | PTGS1 (0.67) | ALDH1A1MAPTPTGS1GSRKMT2A | |
| Ornithine SCHEMBL3443860 | 0.81 | GSR (0.78) | GSRNOS2NOS1NOS3CYP2C19 | |
| Ornithine Aketoglutarate SCHEMBL28452040 | 0.81 | GSR (0.78) | GSRNOS2NOS1NOS3CYP2C19 | |
| Ornithine SCHEMBL624782 | 0.81 | GSR (0.86) | GSRCPB2NOS2NOS1NOS3 | |
| D-Ornithine SCHEMBL43724 | 0.81 | — | — |
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-2964610-A1 | VINYLSULFONE-BASED 18F-LABELING COMPOSITIONS AND METHODS AND USES THEREOF | University Of Southern California, USC Stevens (US) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014138720-A1 | VINYLSULFONE-BASED 18F-LABELING COMPOSITIONS AND METHODS AND USES THEREOF | UNIVERSITY OF SOUTHERN CALIFORNIA USC STEVENS (US) | 2014-09-12 | — | — | WO | disclosed |