Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.70 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.70 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.70 |
| ▸ | MAOA | P21397 | 2/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | GRIN2D | O15399 | 7/20 | 0.53 |
| ▸ | GRIN3B | O60391 | 7/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.53 |
| ▸ | GRIN2A | Q12879 | 7/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.53 |
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 SCHEMBL10637118 | 0.88 | KCNN2 (0.72) | KCNN2KCNN3KCNN1MAOANR1I2 | |
| SCHEMBL3250242 | 0.83 | KCNN2 (1.00) | KCNN2KCNN3KCNN1MAOANR1I2 | |
| SCHEMBL3253219 | 0.83 | KCNN2 (0.94) | KCNN2KCNN3KCNN1MAOANR1I2 | |
| SCHEMBL10636643 | 0.82 | KCNN2 (0.46) | KCNN2KCNN3KCNN1CYP2D6 | |
| SCHEMBL3251892 | 0.81 | KCNN2 (0.91) | KCNN2KCNN3KCNN1MAOANR1I2 | |
| Hydrochloric Acid SCHEMBL3254146 | 0.81 | KCNN2 (1.00) | KCNN2KCNN3KCNN1MAOANR1I2 | |
| Hydrochloric Acid SCHEMBL3248635 | 0.81 | KCNN2 (0.94) | KCNN2KCNN3KCNN1MAOANR1I2 | |
| SCHEMBL21706358 | 0.81 | KCNN2 (0.67) | KCNN2KCNN3KCNN1MAOANR1I2 | |
| Hydrochloric Acid SCHEMBL5136925 | 0.80 | KCNN2 (0.92) | KCNN2KCNN3KCNN1MAOANR1I2 | |
| Hydrochloric Acid SCHEMBL3250094 | 0.80 | KCNN2 (0.92) | KCNN2KCNN3KCNN1MAOANR1I2 |
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-0151319-B1 | Hexahydrobenzo[de]quinoline derivatives and their preparation | ELI LILLY AND COMPANY (US) | 1988-04-20 | — | — | EP | disclosed |