Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | F13A1 | P00488 | 1/20 | 0.33 |
| ▸ | TGM1 | P22735 | 1/20 | 0.33 |
| ▸ | TGM3 | Q08188 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9850665 | 0.72 | — | — | |
| SCHEMBL1173105 | 0.71 | ALDH1A1 (0.41) | TSHRALDH1A1MAPK1TDP1TGM2 | |
| SCHEMBL31757163 | 0.70 | ALDH1A1 (0.41) | TSHRALDH1A1MAPK1TDP1TGM2 | |
| SCHEMBL25091080 | 0.70 | TSHR (0.37) | TSHRALDH1A1MAPK1TDP1TGM2 | |
| SCHEMBL2028292 | 0.70 | TSHR (0.37) | TSHRALDH1A1MAPK1TDP1TGM2 | |
| SCHEMBL20450712 | 0.69 | TSHR (0.48) | TSHRALDH1A1MAPK1TDP1TGM2 | |
| SCHEMBL132807 | 0.69 | — | — | |
| SCHEMBL28038738 | 0.69 | ALDH1A1 (0.39) | TSHRALDH1A1MAPK1TDP1TGM2 | |
| SCHEMBL24333257 | 0.69 | TSHR (0.35) | TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL9777762 | 0.68 | TSHR (0.39) | TSHRALDH1A1MAPK1TDP1TGM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9630956-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-04-25 | — | — | US | disclosed |