Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CBFB | Q13951 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL27864099 | 0.80 | MAPK1 (0.41) | TSHRALDH1A1 | |
| SCHEMBL10858288 | 0.78 | TP53 (0.53) | TSHRCYP3A4TP53TDP1ALDH1A1 | |
| SCHEMBL7824984 | 0.77 | — | — | |
| SCHEMBL933554 | 0.77 | SYK (0.33) | MAOADYRK1ATDP1 | |
| SCHEMBL19224011 | 0.74 | ALDH1A1 (0.44) | TSHRCYP3A4TDP1ALDH1A1 | |
| SCHEMBL15071344 | 0.74 | KDM4E (0.41) | TSHRTDP1ALDH1A1CHEK1 | |
| SCHEMBL29684573 | 0.73 | TSHR (0.64) | TSHRCHEK2CYP3A4TP53ALDH1A1 | |
| SCHEMBL656922 | 0.73 | TSHR (0.64) | TSHRCHEK2CYP3A4TP53ALDH1A1 | |
| SCHEMBL25234487 | 0.72 | CHRNB2 (0.46) | DYRK1ACHEK2CHRNB2CHRNA4 | |
| SCHEMBL30935166 | 0.72 | ALDH1A1 (0.36) | TSHRCHEK2CYP3A4TP53ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106279172-A | Purinone compound as inhibitors of kinases | 药品循环有限责任公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-104640861-B | Purinone compounds as kinase inhibitors | 药品循环公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-104640861-A | Purinone compounds as kinase inhibitors | PHARMACYCLICS INC | 2015-05-20 | — | — | CN | disclosed |