Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 2/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6507959 | 0.95 | S1PR1 (0.40) | S1PR1S1PR3S1PR5S1PR4CHRNB2 | |
| SCHEMBL6511073 | 0.87 | PSEN1 (0.35) | S1PR1S1PR3S1PR5S1PR4CNR1 | |
| SCHEMBL12311430 | 0.79 | — | — | |
| SCHEMBL6506120 | 0.79 | — | — | |
| SCHEMBL4158441 | 0.78 | S1PR1 (0.34) | S1PR1S1PR3S1PR5CHRNB2CHRNA7 | |
| SCHEMBL10687062 | 0.77 | CHRNB2 (0.44) | S1PR1S1PR3S1PR5S1PR4CHRNB2 | |
| Hydrochloric Acid SCHEMBL28835154 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL27772517 | 0.76 | S1PR1 (0.37) | S1PR1S1PR3S1PR5S1PR4CHRNB2 | |
| SCHEMBL27598795 | 0.76 | CHRNB2 (0.47) | S1PR1S1PR3S1PR5S1PR4CHRNB2 | |
| SCHEMBL5109852 | 0.76 | LMNA (0.32) | S1PR1S1PR3S1PR5CHRNB2CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |