Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 3/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 2/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HBB | P68871 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5756547 | 0.83 | GRM1 (0.51) | GRM1GRM5ALDH1A1GAAEDNRA | |
| SCHEMBL751446 | 0.81 | GRM1 (0.50) | GRM1GRM5ALDH1A1GAAEDNRA | |
| SCHEMBL27503672 | 0.77 | GRM1 (0.45) | GRM1GRM5ALDH1A1GAABCHE | |
| SCHEMBL6324783 | 0.75 | ALDH1A1 (0.42) | GRM1GRM5ALDH1A1GAAEDNRA | |
| SCHEMBL8814780 | 0.72 | GRM1 (0.43) | GRM1GRM5ALDH1A1GAAMAPT | |
| SCHEMBL11823616 | 0.72 | GRM1 (0.45) | GRM1GRM5ALDH1A1GAAHTT | |
| SCHEMBL8817077 | 0.71 | GRM1 (0.40) | GRM1GRM5ALDH1A1GAA | |
| SCHEMBL27502434 | 0.70 | TYMS (0.33) | — | |
| SCHEMBL8813838 | 0.70 | BCHE (0.46) | GRM1GRM5MAPTHPGDNPC1 | |
| SCHEMBL6432188 | 0.69 | GRM1 (0.46) | GRM1GRM5ALDH1A1GAABCHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-1283837-A1 | NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | AstraZeneca AB (SE) | 2003-02-19 | — | — | EP | disclosed |
| WO-2001087879-A1 | NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2001-11-22 | — | — | WO | disclosed |