Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6512651 | 0.95 | S1PR1 (0.46) | S1PR1S1PR3S1PR5S1PR4CNR1 | |
| SCHEMBL6511073 | 0.89 | PSEN1 (0.35) | S1PR1S1PR3S1PR5S1PR4CNR1 | |
| SCHEMBL27772517 | 0.81 | S1PR1 (0.37) | S1PR1S1PR3S1PR5S1PR4CYP1A2 | |
| SCHEMBL6506120 | 0.80 | — | — | |
| SCHEMBL12311430 | 0.80 | — | — | |
| SCHEMBL30481721 | 0.79 | S1PR1 (0.35) | S1PR1S1PR3S1PR5S1PR4CYP1A2 | |
| Hydrochloric Acid SCHEMBL28835154 | 0.79 | ALDH1A1 (0.35) | MEN1POLBKMT2A | |
| SCHEMBL5109852 | 0.77 | LMNA (0.32) | S1PR1S1PR3S1PR5CYP1A2CHRNB2 | |
| SCHEMBL4153152 | 0.77 | POLB (0.31) | MEN1POLBKMT2ADPP4 | |
| SCHEMBL28146846 | 0.76 | CYP1A2 (0.39) | S1PR1S1PR3S1PR5S1PR4CYP1A2 |
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 |