Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 7/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 5/20 | 0.40 |
| ▸ | RARA | P10276 | 5/20 | 0.40 |
| ▸ | RARB | P10826 | 4/20 | 0.40 |
| ▸ | RARG | P13631 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | BLVRB | P30043 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP26B1 | Q9NR63 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7654514 | 0.86 | MAPT (0.56) | MEN1KMT2ACYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL7990114 | 0.82 | MAPT (0.46) | MEN1KMT2AMAPTSMN1; SMN2ALOX15 | |
| SCHEMBL7991313 | 0.82 | L3MBTL3 (0.45) | MEN1KMT2ACYP26A1RARARARB | |
| SCHEMBL7658631 | 0.77 | MAPT (0.45) | MEN1KMT2ACYP26A1RARARARB | |
| SCHEMBL7653578 | 0.75 | RORC (0.47) | MEN1KMT2ACYP26A1RARARARB | |
| SCHEMBL7656812 | 0.75 | CYP26A1 (0.38) | MEN1KMT2ACYP26A1RARARARB | |
| SCHEMBL7649851 | 0.75 | MAPT (0.49) | MEN1KMT2ACYP2C9CYP2C19MAPT | |
| SCHEMBL7656862 | 0.74 | L3MBTL3 (0.48) | MEN1KMT2AMAPTSMN1; SMN2ALOX15 | |
| SCHEMBL7655483 | 0.73 | MAPT (0.43) | MEN1KMT2AMAPTSMN1; SMN2ALOX15 | |
| SCHEMBL7655014 | 0.73 | ALDH1A1 (0.39) | MEN1KMT2AALDH1A1MAPK1MAPT |
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 |