Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8376040 | 0.92 | DRD3 (0.40) | CYP1A2HPGDLMNAPKMHTT | |
| SCHEMBL8375998 | 0.87 | GAA (0.37) | HPGDLMNAPKMHTTNPSR1 | |
| SCHEMBL8377115 | 0.79 | MEN1 (0.37) | HPGDLTB4REPHX2KDM4EALDH1A1 | |
| SCHEMBL8377108 | 0.77 | CYP1A2 (0.41) | CYP1A2LMNAALDH1A1HTR2AGAA | |
| SCHEMBL6956977 | 0.76 | ACHE (0.39) | NPSR1ALDH1A1HTR2A | |
| SCHEMBL9388748 | 0.76 | ALDH1A1 (0.40) | CYP1A2HPGDLMNAPKMHTT | |
| SCHEMBL3504561 | 0.76 | ALDH1A1 (0.46) | CYP1A2HPGDLMNAKDM4EALDH1A1 | |
| SCHEMBL3505067 | 0.75 | ACHE (0.40) | HPGDLMNAEPHX2KDM4EALDH1A1 | |
| SCHEMBL8377217 | 0.75 | HTR2A (0.42) | EPHX2HTR2AHTR7KCNH2GAA | |
| SCHEMBL8947062 | 0.74 | ACHE (0.42) | HPGDLMNAKDM4EALDH1A1GAA |
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-5925766-A | COGNITION ACTIVATORS FOR DECREASING CHOLINERGIC FUNCTION OF ALZHEIMER*S DISEASE AND ARE ENZYME INHIBITORS OF MONOAMINE OXIDASE AND ARE ANTIDEPRESSANTS | HOECHST MARION ROUSSEL, INC. (US) | 1999-07-20 | — | — | US | disclosed |
| US-5756754-A | Substituted 3-(aminoalkylamino)-1,2-benzisoxazoles and related compounds | HOECHST MARION ROUSSEL, INC. (US) | 1998-05-26 | — | — | US | disclosed |