Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12987662 | 0.87 | DGAT1 (0.37) | TSHR | |
| SCHEMBL9065135 | 0.82 | TSHR (0.34) | TSHRCYP2D6CYP2C19HIF1AELANE | |
| Pivalate SCHEMBL9948648 | 0.81 | PRKCA (0.39) | TSHRCYP2D6CYP2C19HIF1AELANE | |
| SCHEMBL2597354 | 0.79 | CYP4F2 (0.41) | TSHRALDH1A1 | |
| SCHEMBL1299895 | 0.78 | CYP4F2 (0.44) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL300 | 0.77 | — | — | |
| SCHEMBL2597461 | 0.76 | TSHR (0.37) | TSHRCYP2D6CYP2C19HIF1AELANE | |
| Hydrochloric Acid SCHEMBL11066122 | 0.76 | CYP4F2 (0.42) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| Lithium SCHEMBL30945444 | 0.76 | CYP4F2 (0.42) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL29214070 | 0.76 | CYP4F2 (0.42) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004089925-A1 | PI-3 KINASE INHIBITOR PRODRUGS | SEMAFORE PHARMACEUTICALS, INC. (US) | 2004-10-21 | — | — | WO | disclosed |