Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16572126 | 0.87 | PKM (0.56) | TSHRCYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL9851568 | 0.84 | PKM (0.63) | TSHRPKMHTTALDH1A1POLB | |
| SCHEMBL20840919 | 0.83 | PKM (0.59) | TSHRCYP1A2PKMHTTALDH1A1 | |
| SCHEMBL18047962 | 0.81 | PKM (0.66) | TSHRPKMHTTALDH1A1POLB | |
| SCHEMBL14149366 | 0.81 | PKM (0.59) | TSHRCYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL21595328 | 0.79 | PKM (0.54) | TSHRCYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL21060157 | 0.78 | PKM (0.53) | TSHRPKMHTTALDH1A1POLB | |
| SCHEMBL196221 | 0.78 | PKM (0.56) | TSHRPKMHTTALDH1A1POLB | |
| SCHEMBL825032 | 0.77 | PKM (0.59) | TSHRPKMHTTALDH1A1POLB | |
| SCHEMBL5900909 | 0.77 | PKM (0.51) | TSHRCYP3A4PKMHTTALDH1A1 |
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-0417631-A2 | Condensed diazepinones, process for their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1991-03-20 | — | — | EP | disclosed |