Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.32 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20008606 | 0.82 | CYP1A2 (0.38) | KDM4EALDH1A1POLBHSD17B10 | |
| SCHEMBL20008258 | 0.75 | CYP3A4 (0.41) | ALDH1A1POLB | |
| SCHEMBL9452735 | 0.73 | CYP1A2 (0.55) | KDM4EALDH1A1POLBHSD17B10 | |
| SCHEMBL11307931 | 0.73 | SLC6A2 (0.38) | KDM4EALDH1A1POLBHSD17B10 | |
| SCHEMBL541805 | 0.71 | ALOX15 (0.45) | ALDH1A1POLB | |
| SCHEMBL8564731 | 0.70 | ADH1B (0.52) | ADH1BADH1CADH1AADH7KDM4E | |
| SCHEMBL19675835 | 0.70 | TAAR1 (0.39) | KDM4EALDH1A1 | |
| SCHEMBL16444498 | 0.70 | SMN1; SMN2 (0.45) | HDAC3HDAC1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL8662272 | 0.69 | CYP1A2 (0.44) | KDM4EALDH1A1POLBHSD17B10 | |
| SCHEMBL7429070 | 0.68 | CA1 (0.49) | HDAC1 |
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-0109023-A1 | Isoquinolinesulfonamide derivatives and process for the preparation thereof | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1984-05-23 | — | — | EP | disclosed |