Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PGK2 | P07205 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12629117 | 0.95 | PGK1 (0.38) | IDH1PGK1PGK2 | |
| SCHEMBL10204339 | 0.84 | NR1D1 (0.31) | — | |
| SCHEMBL10204478 | 0.84 | TACR1 (0.37) | ALDH1A1 | |
| SCHEMBL7855646 | 0.81 | TACR1 (0.40) | TSHR | |
| SCHEMBL1408504 | 0.80 | — | — | |
| SCHEMBL12869579 | 0.80 | KDM4E (0.34) | — | |
| SCHEMBL10204316 | 0.80 | IDH1 (0.35) | IDH1ALDH1A1 | |
| SCHEMBL29956498 | 0.77 | TAAR1 (0.50) | ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL4890253 | 0.74 | IDO1 (0.46) | ALDH1A1 | |
| SCHEMBL29952702 | 0.72 | HRH3 (0.36) | ALDH1A1CYP11B1CYP11B2 |
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 |