Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | PRMT5 | O14744 | 8/20 | 0.52 |
| ▸ | WDR77 | Q9BQA1 | 8/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.45 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL695510 | 0.84 | ALDH1A1 (0.62) | ALDH1A1PRMT5WDR77CYP2D6CYP1A2 | |
| SCHEMBL9637698 | 0.83 | ALDH1A1 (0.56) | ALDH1A1PRMT5WDR77CNR1CNR2 | |
| SCHEMBL1040185 | 0.80 | ALDH1A1 (0.88) | ALDH1A1TSHRKDM1A | |
| SCHEMBL10662757 | 0.79 | ALDH1A1 (0.49) | ALDH1A1PRMT5WDR77CNR1CNR2 | |
| SCHEMBL10810535 | 0.78 | ALDH1A1 (0.64) | ALDH1A1PRMT5WDR77KDM4ETDP1 | |
| SCHEMBL10811652 | 0.77 | ALDH1A1 (0.63) | ALDH1A1PRMT5WDR77TSHR | |
| SCHEMBL10186621 | 0.75 | ALDH1A1 (0.53) | ALDH1A1PRMT5WDR77BACE1CARM1 | |
| SCHEMBL3351084 | 0.75 | ALDH1A1 (0.55) | ALDH1A1BACE1CARM1PRMT6 | |
| SCHEMBL15012018 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CYP2C9KDM4EKDM1A | |
| SCHEMBL59488 | 0.74 | KDM4E (0.61) | ALDH1A1KDM4ETDP1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5171860-A | Diamino isothiazole-1-oxides and 1,1 dioxides as gastric secretion inhibitors | MERCK & CO., INC. (US) | 1992-12-15 | — | — | US | disclosed |
| EP-0067436-B1 | DIAMINO ISOTHIAZOLE -1-OXIDES AND -1,1-DIOXIDES AS GASTRIC SECRETION INHIBITORS | MERCK & CO. INC. (US) | 1986-07-23 | — | — | EP | disclosed |