Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26782451 | 0.75 | CYP3A4 (1.00) | ALDH1A1CYP3A4SMN1; SMN2ALKBH5HTR7 | |
| SCHEMBL9148130 | 0.73 | CYP3A4 (0.53) | ALDH1A1CYP3A4SMN1; SMN2TAAR1TSHR | |
| SCHEMBL25844870 | 0.73 | MAOB (0.34) | ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL26113185 | 0.72 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL25844872 | 0.72 | ALDH1A1 (0.36) | ALDH1A1CYP3A4SMN1; SMN2MEN1KMT2A | |
| SCHEMBL26115179 | 0.71 | ALDH1A1 (0.47) | ALDH1A1CYP3A4 | |
| SCHEMBL429483 | 0.69 | TAAR1 (0.67) | ALDH1A1CYP3A4TAAR1CALM1SLC6A2 | |
| SCHEMBL29079404 | 0.69 | CNR1 (0.41) | ALDH1A1CYP3A4DHFR | |
| Bromide SCHEMBL29260497 | 0.68 | TAAR1 (0.65) | ALDH1A1CYP3A4TAAR1CALM1SLC6A2 | |
| SCHEMBL1464593 | 0.68 | CYP3A4 (0.39) | ALDH1A1CYP3A4SMN1; SMN2TAAR1HTR7 |
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 |
|---|---|---|---|---|---|---|---|
| US-6320085-B1 | REACTING BENZYL ALCOHOL DERIVATIVE WITH 1 TO 3 MOLAR EQUIVALENTS OF SPECIFIED ALCOHOL IN PRESENCE OF ACID, LEWIS ACID, METAL OXIDE OR METAL CARBONATE, ISOLATING RESULTING ETHER, STABILIZING BY ADDITION OF BASE AND/OR ANTIOXIDANT | AGRO-CHEMIE NOVENYVEDOSZER GYARTO ERTEKESITO EST FORGALMAZO KFT. (HU) | 2001-11-20 | — | — | US | disclosed |
| EP-0939749-B1 | PROCESS FOR THE PREPARATION OF BENZYL-ETHERS | AGRO CHEMIE NOEVENYVEDOESZER G (HU) | 2001-07-18 | — | — | EP | disclosed |
| EP-0939749-A1 | PROCESS FOR THE PREPARATION OF BENZYL-ETHERS | Agro-Chemie Növenyvedöszer Gyárto Ertékesito Es Forgalmazo KFT. (HU) | 1999-09-08 | — | — | EP | disclosed |
| WO-1998022417-A1 | PROCESS FOR THE PREPARATION OF BENZYL-ETHERS BY USE OF PHASE TRANSFER | Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) | 1998-05-28 | — | — | WO | disclosed |
| WO-1998022416-A1 | PROCESS FOR THE PREPARATION OF BENZYL-ETHERS | AGRO-CHEMIE NÖVÉNYVÉDÖSZER GYÁRTÓ ÉRTÉKESITÓ ÉS FORGALMAZÓ KFT. (HU) | 1998-05-28 | — | — | WO | disclosed |