Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | THPO | P40225 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | HTR1D | P28221 | 12/20 | 0.58 |
| ▸ | HTR1B | P28222 | 12/20 | 0.58 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | HTR1F | P30939 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | NOS1 | P29475 | 2/20 | 0.51 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13234805 | 0.80 | HTR1D (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL7811478 | 0.79 | HTR1D (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL7811481 | 0.79 | HTR1D (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL9764751 | 0.78 | HTR1D (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL9033732 | 0.77 | HTR1D (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL8915373 | 0.77 | HTR1D (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL27316732 | 0.77 | HTR1D (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL9874164 | 0.77 | HTR1D (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL30908918 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL3546728 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C9THPO |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695301-A1 | INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE | PFIZER LTD (GB) | 1996-02-07 | — | — | EP | disclosed |