Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 8/20 | 0.40 |
| ▸ | MRGPRX1 | Q96LB2 | 3/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7797913 | 0.86 | CYP3A4 (0.40) | RXFP1MRGPRX1CYP3A4TSHRPOLB | |
| SCHEMBL7978729 | 0.74 | KDM4E (0.45) | RXFP1MRGPRX1CYP3A4TSHRPOLB | |
| SCHEMBL8077363 | 0.73 | MEN1 (0.44) | — | |
| SCHEMBL7797937 | 0.72 | KMT2A (0.44) | RXFP1CREBBPCYP3A4TSHRPOLB | |
| SCHEMBL8077358 | 0.69 | ACACB (0.41) | RXFP1CREBBPCYP3A4TSHRPOLB | |
| SCHEMBL4019842 | 0.68 | ADRA2A (0.46) | NPC1RAB9AALDH1A1GAAMAPT | |
| SCHEMBL7801319 | 0.66 | KMT2A (0.43) | RXFP1CREBBPPOLBL3MBTL1GAA | |
| SCHEMBL6295126 | 0.65 | MAPT (0.53) | RXFP1CYP3A4POLBNPC1ALDH1A1 | |
| SCHEMBL7993464 | 0.65 | KMT2A (0.42) | TSHRPOLBNPC1RAB9AALDH1A1 | |
| SCHEMBL1010394 | 0.64 | ADRA2A (0.49) | NPC1RAB9AALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1025087-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999021836-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-05-06 | — | — | WO | disclosed |