Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29952032 | 0.97 | ALDH1A1 (0.47) | ALDH1A1TSHRACHECYP3A4POLB | |
| SCHEMBL13041357 | 0.95 | ALDH1A1 (0.50) | ALDH1A1TSHRACHECYP3A4POLB | |
| SCHEMBL29957370 | 0.93 | GAA (0.41) | ALDH1A1TSHRACHECYP3A4POLB | |
| SCHEMBL3636975 | 0.83 | ALDH1A1 (0.52) | ALDH1A1POLBGAAHTTKMT2A | |
| SCHEMBL19441740 | 0.75 | ALDH1A1 (0.51) | ALDH1A1TSHRACHECYP3A4POLB | |
| SCHEMBL6825856 | 0.75 | ALDH1A1 (0.51) | ALDH1A1TSHRACHECYP3A4POLB | |
| SCHEMBL5566978 | 0.73 | ALDH1A1 (0.54) | ALDH1A1TSHRACHECYP3A4POLB | |
| SCHEMBL6175569 | 0.71 | GAA (0.50) | ALDH1A1CYP3A4MCOLN3GAAKMT2A | |
| SCHEMBL29132778 | 0.70 | TSHR (0.43) | ALDH1A1TSHRACHECYP3A4POLB | |
| SCHEMBL17446911 | 0.70 | ALDH1A1 (0.50) | ALDH1A1TSHRACHECYP3A4POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |