Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7317155 | 0.81 | PTPN1 (0.36) | TSHRDRD2DRD1GAAKDM4E | |
| SCHEMBL7439893 | 0.81 | — | — | |
| SCHEMBL7443351 | 0.75 | ADORA3 (0.36) | TSHRDRD2DRD1GAAKDM4E | |
| Hydrochloric Acid SCHEMBL7447474 | 0.74 | DRD2 (0.35) | DRD2GAAKDM4EALDH1A1KDM1A | |
| SCHEMBL7310836 | 0.73 | ACHE (0.43) | ACHEGAAKDM4EALDH1A1NPSR1 | |
| SCHEMBL7444849 | 0.72 | CARM1 (0.36) | DRD2DRD1GAAKDM4E | |
| SCHEMBL7444847 | 0.72 | CARM1 (0.36) | DRD2DRD1GAAKDM4E | |
| Hydrochloric Acid SCHEMBL7310685 | 0.72 | ACHE (0.42) | ACHEGAAKDM4EALDH1A1NPSR1 | |
| SCHEMBL9802336 | 0.71 | KDM4E (0.43) | CYP1A2CYP2C9TSHRHTR1ADRD2 | |
| SCHEMBL7446685 | 0.70 | SLC1A1 (0.38) | — |
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-5621133-A | PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES | DENINNO MICHAEL P (US) | 1997-04-15 | — | — | US | disclosed |
| US-5591884-A | PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES | ABBOTT LABORATORIES (US) | 1997-01-07 | — | — | US | disclosed |