Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | UGCG | Q16739 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7653797 | 0.92 | HSD17B10 (0.41) | HSD17B10SMN1; SMN2RXFP1LMNAALDH1A1 | |
| SCHEMBL7651392 | 0.85 | KCNK3 (0.43) | RXFP1KDM4EMAPK1NR1I2UGCG | |
| Hydrochloric Acid SCHEMBL7791936 | 0.84 | HSD17B10 (0.44) | HSD17B10SMN1; SMN2RXFP1LMNAALDH1A1 | |
| SCHEMBL7649740 | 0.82 | MAPT (0.39) | HSD17B10SMN1; SMN2RXFP1LMNAALDH1A1 | |
| SCHEMBL7797950 | 0.81 | KDM4E (0.44) | HSD17B10SMN1; SMN2RXFP1LMNAALDH1A1 | |
| SCHEMBL7661528 | 0.81 | KCNK3 (0.41) | HSD17B10SMN1; SMN2RXFP1LMNAALDH1A1 | |
| SCHEMBL7801379 | 0.79 | HSD17B10 (0.42) | HSD17B10SMN1; SMN2RXFP1LMNAALDH1A1 | |
| SCHEMBL7799980 | 0.78 | HSD17B10 (0.43) | HSD17B10SMN1; SMN2RXFP1LMNAALDH1A1 | |
| SCHEMBL7798022 | 0.78 | HSD17B10 (0.43) | HSD17B10SMN1; SMN2RXFP1LMNAALDH1A1 | |
| SCHEMBL7792101 | 0.76 | ALDH1A1 (0.43) | SMN1; SMN2ALDH1A1KDM4EMAPK1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | claimed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | claimed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |