Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | PTAFR | P25105 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9014691 | 0.92 | GABRA1 (0.35) | GRM5GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL7712895 | 0.80 | GRM5 (0.49) | GRM5GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL4517248 | 0.80 | PIK3CD (0.34) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6849836 | 0.79 | GABRA1 (0.37) | GRM5ALDH1A1GABRA1GABRG2GABRB3 | |
| SCHEMBL4737647 | 0.78 | ACACB (0.42) | — | |
| SCHEMBL9006824 | 0.78 | CTNNB1 (0.38) | GRM5 | |
| SCHEMBL8561841 | 0.77 | PTGS1 (0.31) | GRM5GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2888952 | 0.76 | GRM5 (0.33) | GRM5DRD2DRD3PNMT | |
| SCHEMBL23501054 | 0.74 | CA1 (0.40) | CA12CA1CA2CA7CA14 | |
| SCHEMBL4523627 | 0.74 | CYP1A2 (0.48) | CA1CA2GABRA1GABRG2GABRB3 |
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-1276739-A2 | HETEROCYCLES THAT ARE INHIBITORS OF IMPDH ENZYME | Bristol-Myers Squibb Company (US) | 2003-01-22 | — | — | EP | disclosed |
| WO-2001081340-A2 | HETEROCYCLES THAT ARE INHIBITORS OF IMPDH ENZYME | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-11-01 | — | — | WO | disclosed |