Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6820654 | 1.00 | CA1 (0.54) | CA1CA2HTTLDHANPC1 | |
| SCHEMBL25828072 | 0.87 | POLB (0.50) | CA1CA2NPC1POLBRAB9A | |
| SCHEMBL7066789 | 0.84 | CA1 (0.56) | CA1CA2HTTLDHANPC1 | |
| SCHEMBL7066783 | 0.84 | CA1 (0.56) | CA1CA2HTTLDHANPC1 | |
| SCHEMBL14567511 | 0.83 | CA1 (0.55) | CA1CA2HTTLDHANPC1 | |
| SCHEMBL3544801 | 0.83 | CA1 (0.55) | CA1CA2HTTLDHANPC1 | |
| SCHEMBL26197467 | 0.83 | SLC1A1 (0.48) | CA1CA2HTTALDH1A1 | |
| SCHEMBL22559880 | 0.79 | RXFP1 (0.38) | CA1CA2HTTRAB9ASMN1; SMN2 | |
| SCHEMBL15831104 | 0.77 | CA1 (0.68) | CA1CA2HTTLDHAALDH1A1 | |
| SCHEMBL2608864 | 0.77 | CA1 (0.62) | CA1CA2IDO1AGXTTBXAS1 |
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-2004009574-A1 | SYNTHESIS OF DISCODERMOLIDE | NOVARTIS AG (CH) | 2004-01-29 | — | — | WO | disclosed |