Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL18569845 | 0.81 | HSD17B10 (0.34) | HSD17B10TSHR | |
| SCHEMBL21452916 | 0.79 | TSHR (0.30) | TSHR | |
| SCHEMBL20085633 | 0.76 | THRB (0.47) | ALDH1A1HSD17B10TSHR | |
| SCHEMBL15721682 | 0.75 | — | — | |
| SCHEMBL12064755 | 0.75 | — | — | |
| SCHEMBL14962063 | 0.73 | CA12 (0.46) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL28491410 | 0.73 | TDP1 (0.41) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL113763 | 0.71 | CYP19A1 (0.49) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL901332 | 0.71 | CYP19A1 (0.49) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL44129 | 0.71 | ALDH1A1 (0.36) | CA2TDP1ALDH1A1TSHR |
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-2014140308-A1 | PROCESS FOR PRODUCING (R)-3-HYDROXYBUTYL (R)-3-HYDROXYBUTYRATE | ISIS INNOVATION LTD (GB) | 2014-09-18 | — | — | WO | disclosed |