Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.30 |
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 SCHEMBL2858088 | 0.70 | CYP1A2 (0.47) | CYP1A2SMN1; SMN2USP2ALDH1A1LMNA | |
| SCHEMBL1925119 | 0.70 | F10 (0.31) | CYP1A2SMN1; SMN2USP2ALDH1A1LMNA | |
| SCHEMBL28750382 | 0.69 | CYP1A2 (0.46) | CYP1A2SMN1; SMN2USP2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL27548751 | 0.68 | CYP1A2 (0.45) | CYP1A2SMN1; SMN2USP2ALDH1A1LMNA | |
| SCHEMBL584183 | 0.68 | CYP1A2 (0.35) | CYP1A2SMN1; SMN2ALDH1A1TSHRPOLB | |
| SCHEMBL2852278 | 0.67 | CYP1A2 (0.43) | CYP1A2SMN1; SMN2USP2ALDH1A1LMNA | |
| SCHEMBL27468729 | 0.66 | POLB (0.37) | CYP1A2SMN1; SMN2USP2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL27468730 | 0.66 | CYP1A2 (0.42) | CYP1A2SMN1; SMN2USP2ALDH1A1LMNA | |
| SCHEMBL27617090 | 0.66 | CYP1A2 (0.39) | CYP1A2SMN1; SMN2USP2ALDH1A1LMNA | |
| SCHEMBL466184 | 0.66 | CYP1A2 (0.43) | CYP1A2SMN1; SMN2USP2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2125021-B1 | COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS | RECORDATI IRELAND LTD (IE) | 2011-06-08 | — | — | EP | claimed |