Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 14/20 | 0.62 |
| ▸ | HTR1B | P28222 | 13/20 | 0.62 |
| ▸ | HTR1A | P08908 | 4/20 | 0.62 |
| ▸ | HTR1F | P30939 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | THPO | P40225 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27455068 | 0.94 | HTR1D (0.55) | HTR1DHTR1BHTR1AHTR1FMAPT | |
| SCHEMBL9764535 | 0.87 | HTR1D (0.64) | HTR1DHTR1BHTR1AHTR1FMAPT | |
| SCHEMBL8915046 | 0.86 | HTR1D (0.63) | HTR1DHTR1BHTR1AHTR1FMAPT | |
| SCHEMBL27290426 | 0.86 | NMT2 (0.55) | HTR1DHTR1BHTR1AHTR1FAPP | |
| SCHEMBL9764437 | 0.85 | HTR1D (0.68) | HTR1DHTR1BHTR1AHTR1FMAPT | |
| Oxalic Acid SCHEMBL9764572 | 0.82 | HTR1D (0.64) | HTR1DHTR1BHTR1AHTR1FMAPT | |
| SCHEMBL13234805 | 0.82 | HTR1D (0.69) | HTR1DHTR1BHTR1AHTR1FMAPT | |
| SCHEMBL27294918 | 0.82 | NMT2 (0.48) | HTR1DHTR1BHTR1AHTR1FAPP | |
| SCHEMBL9764751 | 0.80 | HTR1D (0.65) | HTR1DHTR1BHTR1AHTR1FMAPT | |
| SCHEMBL27328413 | 0.80 | HTR1D (0.47) | HTR1DHTR1BHTR1AHTR1F |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1161967-A | Preparation method for imidazole derivatives | MERCK SHARP & DOHME (GB) | 1997-10-15 | — | — | CN | claimed |
| CN-1128617-C | Prepration method for medicinal composition containing triazolyl derivative | MERCK SHARP & DOHME (GB) | 2003-11-26 | — | — | CN | disclosed |
| CN-1061654-C | Tetrazole derivatives and process for preparation thereof | MERCK SHARP & DOHME (GB) | 2001-02-07 | — | — | CN | disclosed |
| CN-1038681-C | Triazole derivatives and their use as fungicides | MERCK SHARP DOHME LTD (GB) | 1998-06-10 | — | — | CN | disclosed |
| CN-1161967-A | Preparation method for imidazole derivatives | MERCK SHARP & DOHME (GB) | 1997-10-15 | — | — | CN | disclosed |
| CN-1161834-A | Prepration method for medicinal composition containing triazolyl derivative | MERCK SHARP & DOHME (GB) | 1997-10-15 | — | — | CN | disclosed |
| CN-1157821-A | Process for preparation of tetrazole derivatives | MERCK SHARP & DOHME (DE) | 1997-08-27 | — | — | CN | disclosed |