Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL8555789 | 0.94 | CHRNB2 (0.45) | CYP1A2S1PR1S1PR3S1PR5CHRNB2 | |
| SCHEMBL5140421 | 0.94 | S1PR1 (0.45) | CYP1A2S1PR1S1PR3S1PR5CHRNB2 | |
| SCHEMBL6395663 | 0.92 | S1PR1 (0.48) | S1PR1S1PR3S1PR5CHRNB2CHRNA7 | |
| SCHEMBL5810243 | 0.88 | CHRNB2 (0.51) | CYP1A2S1PR1S1PR3S1PR5CHRNB2 | |
| SCHEMBL8557135 | 0.86 | CHRNB2 (0.54) | CYP1A2S1PR1S1PR3S1PR5CHRNB2 | |
| SCHEMBL6215101 | 0.81 | PSEN1 (0.40) | CYP1A2S1PR1S1PR3S1PR5CHRNB2 | |
| SCHEMBL24667752 | 0.78 | — | — | |
| SCHEMBL805496 | 0.78 | — | — | |
| SCHEMBL3239664 | 0.77 | CYP1A2 (0.41) | CYP1A2S1PR1S1PR3S1PR5CHRNB2 | |
| SCHEMBL294368 | 0.77 | CYP1A2 (0.52) | CYP1A2S1PR1S1PR3S1PR5CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107112592-A | Secondary cell electrolyte and secondary cell | 日清纺控股株式会社 | 2017-08-29 | — | — | CN | disclosed |