Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | FABP2 | P12104 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5422266 | 1.00 | ALDH1A1 (0.42) | ALDH1A1LMNAPTGS2MAPK1MEN1 | |
| SCHEMBL4889558 | 0.81 | ALDH1A1 (0.36) | ALDH1A1LMNAPTGS2MAPK1MEN1 | |
| SCHEMBL29957180 | 0.80 | CYP3A4 (0.42) | MAPK1MEN1KMT2ATTRCYP3A4 | |
| SCHEMBL20899619 | 0.80 | CYP3A4 (0.42) | MAPK1MEN1KMT2ATTRCYP3A4 | |
| SCHEMBL23118313 | 0.80 | ALDH1A1 (0.37) | ALDH1A1LMNAMAPK1CHRM1TBXA2R | |
| SCHEMBL3318129 | 0.78 | HTR2A (0.36) | CLCN2CYP3A4HTR2B | |
| SCHEMBL29951201 | 0.78 | ENPP2 (0.33) | CLCN2CYP3A4ENPP2 | |
| SCHEMBL31483121 | 0.78 | CYP3A4 (0.30) | CYP3A4 | |
| SCHEMBL29957677 | 0.78 | HTR2A (0.36) | CLCN2CYP3A4HTR2B | |
| SCHEMBL3319716 | 0.78 | ENPP2 (0.33) | CLCN2CYP3A4ENPP2 |
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 |