Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 11/20 | 0.51 |
| ▸ | CASP5 | P51878 | 11/20 | 0.51 |
| ▸ | CASP4 | P49662 | 9/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | RGS12 | O14924 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9725003 | 0.88 | CASP1 (0.54) | CASP1CASP5CASP4MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL10720464 | 0.78 | CASP1 (0.51) | CASP1CASP5CASP4MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL10720469 | 0.78 | CASP1 (0.51) | CASP1CASP5CASP4MAPTKMT2A | |
| SCHEMBL4877668 | 0.74 | ALDH1A1 (0.74) | CASP1CASP5CASP4MAPTKMT2A | |
| SCHEMBL8020260 | 0.74 | CYP19A1 (0.40) | CYP19A1 | |
| SCHEMBL1401929 | 0.74 | CYP19A1 (0.40) | CYP19A1 | |
| Hydrochloric Acid SCHEMBL10720129 | 0.73 | ALDH1A1 (0.73) | CASP1CASP5CASP4MAPTKMT2A | |
| SCHEMBL9164157 | 0.72 | LCK (0.59) | CASP1CASP5CASP4MAPTKMT2A | |
| SCHEMBL10529661 | 0.72 | CYP19A1 (0.38) | CASP1CASP5CASP4MAPTKMT2A | |
| SCHEMBL10529663 | 0.72 | CYP19A1 (0.38) | CASP1CASP5CASP4MAPTKMT2A |
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-2005016243-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ANTIOXIDANT AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | PHARMACIA CORPORATION (US) | 2005-02-24 | — | — | WO | claimed |