Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 3/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | LAP3 | P28838 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27830876 | 0.98 | SMPD1 (0.44) | SMPD1TSHRFDPSS1PR2S1PR1 | |
| SCHEMBL3815840 | 0.96 | SMPD1 (0.46) | SMPD1TSHRFDPSS1PR2S1PR1 | |
| SCHEMBL3819695 | 0.94 | TSHR (0.44) | SMPD1TSHRFDPSS1PR2S1PR1 | |
| SCHEMBL10880316 | 0.92 | TSHR (0.46) | SMPD1TSHRFDPSTRPM8 | |
| SCHEMBL3823536 | 0.89 | TSHR (0.46) | SMPD1TSHRFDPSTRPM8 | |
| SCHEMBL2251176 | 0.88 | SMPD1 (0.52) | SMPD1FDPSS1PR2S1PR1S1PR3 | |
| SCHEMBL2248856 | 0.88 | SMPD1 (0.52) | SMPD1FDPSS1PR2S1PR1S1PR3 | |
| SCHEMBL674654 | 0.88 | SMPD1 (0.52) | SMPD1FDPSS1PR2S1PR1S1PR3 | |
| SCHEMBL3813283 | 0.88 | SMPD1 (0.52) | SMPD1FDPSS1PR2S1PR1S1PR3 | |
| SCHEMBL9437015 | 0.88 | SMPD1 (0.52) | SMPD1FDPSS1PR2S1PR1S1PR3 |
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-9670200-B2 | Quaternary ammonium salt prodrugs | ALKERMES PHARMA IRELAND LIMITED (IE) | 2017-06-06 | — | — | US | disclosed |