Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.73 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.73 |
| ▸ | NPC1 | O15118 | 5/20 | 0.71 |
| ▸ | RAB9A | P51151 | 5/20 | 0.71 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL16673148 | 0.93 | ESR1 (0.64) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL13207352 | 0.91 | RAB9A (0.62) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL4459400 | 0.91 | ESR1 (0.86) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL14722402 | 0.90 | NPC1 (0.72) | ESR1ESR2NPC1RAB9ALMNA | |
| Phenethyl Benzoate SCHEMBL4351681 | 0.88 | ESR1 (0.80) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| Phenethyl Benzoate SCHEMBL168823 | 0.88 | ESR1 (0.80) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL206554 | 0.86 | TDP1 (0.61) | ESR1ESR2NPC1RAB9ALMNA | |
| Phenethyl Benzoate SCHEMBL8013380 | 0.85 | ESR1 (0.71) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL1129589 | 0.85 | ESR1 (1.00) | ESR1ESR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL3821543 | 0.83 | ESR1 (0.73) | ESR1ESR2NPC1RAB9AL3MBTL1 |
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-1012166-A1 | 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS | Protherics Molecular Design Limited (GB) | 2000-06-28 | — | — | EP | disclosed |
| WO-1999011657-A1 | 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS | PROTEUS MOLECULAR DESIGN LTD. (GB) | 1999-03-11 | — | — | WO | disclosed |