Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | EDNRA | P25101 | 2/20 | 0.41 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7142127 | 1.00 | SMN1; SMN2 (0.46) | SMN1; SMN2NPC1HPGDRAB9ACYP1A2 | |
| SCHEMBL6227267 | 0.87 | ALDH1A1 (0.44) | SMN1; SMN2NPC1HPGDRAB9ACYP1A2 | |
| SCHEMBL14967720 | 0.86 | TSHR (0.50) | HPGDCYP1A2CYP2C9CYP2C19SLC6A2 | |
| SCHEMBL14967702 | 0.85 | TSHR (0.61) | SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7141149 | 0.83 | BACE1 (0.52) | SMN1; SMN2NPC1HPGDRAB9ASLC6A2 | |
| SCHEMBL8856846 | 0.83 | BACE1 (0.52) | SMN1; SMN2NPC1HPGDRAB9ASLC6A2 | |
| SCHEMBL3201279 | 0.83 | BACE1 (0.52) | SMN1; SMN2NPC1HPGDRAB9ASLC6A2 | |
| SCHEMBL8503544 | 0.83 | BACE1 (0.52) | SMN1; SMN2NPC1HPGDRAB9ASLC6A2 | |
| SCHEMBL3201276 | 0.83 | BACE1 (0.52) | SMN1; SMN2NPC1HPGDRAB9ASLC6A2 | |
| SCHEMBL8573735 | 0.83 | BACE1 (0.52) | SMN1; SMN2NPC1HPGDRAB9ASLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6521445-B1 | Stereoselective ester hydrolysis of racemic trans-3-(4-methoxyphenyl) glycidic acid ester using a hydrolase enzyme; resolution; diltiazem production | SEPRACOR, INC. | 2003-02-18 | — | — | US | disclosed |
| US-5274300-A | Patent withdrawn after O.G. published | SEPRACOR, INC. (US) | 1993-12-28 | — | — | US | disclosed |