Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL81413 | 0.86 | TSHR (0.55) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL331043 | 0.85 | TSHR (0.57) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL441050 | 0.83 | TSHR (0.60) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL395328 | 0.83 | TSHR (0.55) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL16286807 | 0.82 | TSHR (0.63) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL16286690 | 0.82 | TSHR (0.63) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL9842970 | 0.81 | TSHR (0.46) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL8467147 | 0.80 | TSHR (0.60) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL10661647 | 0.79 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL5838718 | 0.79 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4TP53 |
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-1928979-A1 | FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS | Rolic AG (CH) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007033506-A1 | FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS | ROLIC AG (CH) | 2007-03-29 | — | — | WO | disclosed |