Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL766664 | 1.00 | CA2 (0.46) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL301235 | 0.98 | CA2 (0.48) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL28640990 | 0.95 | CA2 (0.46) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL380015 | 0.93 | CA2 (0.44) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL1304225 | 0.89 | CA2 (0.41) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL28360323 | 0.89 | CA2 (0.41) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL28997090 | 0.89 | CA2 (0.41) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL304569 | 0.82 | CA2 (0.57) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL28153792 | 0.80 | CA2 (0.38) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL5910979 | 0.78 | CA2 (0.32) | CA2ALDH1A1TSHRTDP1 |
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-2408773-A2 | INHIBITORS OF PI3 KINASE | Amgen, Inc (US) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010108074-A2 | INHIBITORS OF PI3 KINASE | AMGEN INC. (US) | 2010-09-23 | — | — | WO | disclosed |