Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL22600547 | 0.80 | CYP3A4 (0.34) | TSHR | |
| SCHEMBL19657808 | 0.77 | — | — | |
| SCHEMBL5250979 | 0.77 | CYP1A2 (0.35) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL15499250 | 0.75 | — | — | |
| SCHEMBL10970128 | 0.74 | CYP2A6 (0.43) | CYP1A2CYP2A6TSHR | |
| SCHEMBL1611241 | 0.74 | CYP1A2 (0.33) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL13211922 | 0.74 | POLB (0.42) | TSHR | |
| SCHEMBL16961180 | 0.72 | TRPA1 (0.35) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL1311843 | 0.72 | ALDH1A1 (0.39) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL1611653 | 0.72 | CYP1A2 (0.32) | CYP1A2CYP2A6TSHRTDP2NSD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018039539-A1 | INDAZOLYL-L,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE | LYCERA CORPORATION (US) | 2018-03-01 | — | — | WO | disclosed |
| WO-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |