Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | GRK6 | P43250 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17513682 | 0.85 | CYP3A4 (0.58) | CYP3A4HTTALDH1A1TSHRHSD17B10 | |
| SCHEMBL6215267 | 0.84 | CYP3A4 (0.47) | CYP3A4HTTALDH1A1TSHRHSD17B10 | |
| SCHEMBL27500128 | 0.79 | CYP3A4 (0.51) | CYP3A4HTTALDH1A1TSHRHSD17B10 | |
| SCHEMBL28365597 | 0.79 | CYP3A4 (0.51) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL20068188 | 0.78 | CYP3A4 (0.50) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL11497029 | 0.76 | ALDH1A1 (0.53) | CYP3A4HTTALDH1A1TSHRHSD17B10 | |
| SCHEMBL16648508 | 0.76 | CYP3A4 (0.49) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL6218644 | 0.72 | NPC1 (0.36) | CYP3A4HTTALDH1A1TSHRHSD17B10 | |
| SCHEMBL30911230 | 0.72 | ALDH1A1 (0.51) | CYP3A4HTTALDH1A1TSHRHSD17B10 | |
| SCHEMBL25851489 | 0.72 | CYP3A4 (0.44) | CYP3A4HTTALDH1A1TSHRHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1663936-B1 | BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | disclosed |