Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1486226 | 1.00 | TSHR (0.38) | TSHRTDP1FFAR3ALDH1A1TP53 | |
| SCHEMBL1535526 | 1.00 | TSHR (0.38) | TSHRTDP1FFAR3ALDH1A1TP53 | |
| SCHEMBL4377302 | 1.00 | TSHR (0.38) | TSHRTDP1FFAR3ALDH1A1TP53 | |
| SCHEMBL13587627 | 1.00 | TSHR (0.38) | TSHRTDP1FFAR3ALDH1A1TP53 | |
| SCHEMBL4382401 | 1.00 | TSHR (0.38) | TSHRTDP1FFAR3ALDH1A1TP53 | |
| SCHEMBL13587629 | 1.00 | TSHR (0.38) | TSHRTDP1FFAR3ALDH1A1TP53 | |
| SCHEMBL3440971 | 0.78 | LDHA (0.35) | TSHRTDP1FFAR3ALDH1A1TP53 | |
| SCHEMBL6408902 | 0.78 | LDHA (0.35) | TSHRTDP1FFAR3ALDH1A1TP53 | |
| SCHEMBL638743 | 0.78 | — | — | |
| SCHEMBL31509346 | 0.77 | CES2 (0.42) | ALDH1A1TP53 |
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-20090298147-A1 | Method of Making (+)- Sitophilure | CODEXIS, INC. | 2009-12-03 | — | — | US | disclosed |