Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.62 |
| ▸ | CNR1 | P21554 | 1/20 | 0.56 |
| ▸ | CNR2 | P34972 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CCR1 | P32246 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL16797442 | 0.83 | ALDH1A1 (0.76) | TSHRCYP2C19CYP3A4ALDH1A1KMT2A | |
| SCHEMBL2846505 | 0.80 | GAA (0.68) | TSHRCYP2C19CYP3A4ALDH1A1KMT2A | |
| SCHEMBL8599085 | 0.80 | TSHR (0.67) | TSHRCYP2C19CYP3A4ALDH1A1KMT2A | |
| SCHEMBL9912061 | 0.79 | ALDH1A1 (0.66) | TSHRCYP2C19CYP3A4ALDH1A1KMT2A | |
| SCHEMBL14352723 | 0.79 | ALDH1A1 (0.66) | TSHRCYP2C19CYP3A4ALDH1A1KMT2A | |
| SCHEMBL14050745 | 0.79 | CCR1 (0.68) | TSHRCYP2C19CYP3A4ALDH1A1KMT2A | |
| SCHEMBL4618168 | 0.77 | TSHR (0.62) | TSHRCYP2C19CYP3A4ALDH1A1KMT2A | |
| SCHEMBL19215278 | 0.77 | TSHR (0.62) | TSHRCYP2C19CYP3A4ALDH1A1KMT2A | |
| SCHEMBL360411 | 0.77 | TSHR (0.62) | TSHRCYP2C19CYP3A4ALDH1A1KMT2A | |
| SCHEMBL360412 | 0.77 | TSHR (0.62) | TSHRCYP2C19CYP3A4ALDH1A1KMT2A |
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-0885204-B1 | NOVEL ARYL GLYCINAMIDE DERIVATIVES, METHOD OF PRODUCING SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2002-06-12 | — | — | EP | disclosed |