Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 5/20 | 0.38 |
| ▸ | MMP2 | P08253 | 5/20 | 0.38 |
| ▸ | MMP3 | P08254 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8731753 | 0.82 | ALDH1A1 (0.35) | ALDH1A1TSHRMMP1MMP2MMP3 | |
| SCHEMBL803930 | 0.82 | TSHR (0.35) | ALDH1A1TSHRMMP1MMP2MMP3 | |
| SCHEMBL13760870 | 0.80 | ALDH1A1 (0.34) | ALDH1A1TSHRMMP1MMP2MMP3 | |
| SCHEMBL8047915 | 0.80 | ALDH1A1 (0.34) | ALDH1A1TSHRMMP1MMP2MMP3 | |
| SCHEMBL27750616 | 0.79 | — | — | |
| SCHEMBL9494006 | 0.79 | ALDH1A1 (0.33) | ALDH1A1TSHRMMP1MMP2MMP3 | |
| SCHEMBL27916264 | 0.77 | MMP1 (0.33) | ALDH1A1TSHRMMP1MMP2MMP3 | |
| SCHEMBL9494612 | 0.73 | ALDH1A1 (0.39) | ALDH1A1TSHRHTT | |
| SCHEMBL599201 | 0.73 | TSHR (0.35) | ALDH1A1TSHRTET2MEN1KMT2A | |
| SCHEMBL8567184 | 0.73 | TSHR (0.35) | ALDH1A1TSHRTET2MEN1KMT2A |
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-3027696-B1 | COMPOSITIONS INCLUDING N-BUTYL 3-HYDROXYBUTYRATE | EASTMAN CHEM CO (US) | 2021-08-18 | — | — | EP | claimed |