Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL13622944 | 0.80 | TSHR (0.30) | TSHR | |
| SCHEMBL10990152 | 0.71 | — | — | |
| SCHEMBL10390675 | 0.69 | — | — | |
| SCHEMBL7634519 | 0.68 | FFAR3 (0.33) | — | |
| SCHEMBL14619622 | 0.68 | CHRM2 (0.40) | TSHR | |
| SCHEMBL21986928 | 0.68 | ALDH1A1 (0.43) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL11126375 | 0.67 | ALDH1A1 (0.30) | ALDH1A1TP53TSHRHIF1AHSD17B10 | |
| SCHEMBL29001745 | 0.67 | TET2 (0.31) | — | |
| SCHEMBL28571995 | 0.67 | — | — | |
| SCHEMBL1315512 | 0.66 | ALDH1A1 (0.48) | ALDH1A1TP53TSHRHIF1AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1956906-A2 | METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS | CombinatoRx, Incorporated (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007056457-A2 | METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS | COMBINATORX, INCORPORATED (US) | 2007-05-18 | — | — | WO | disclosed |