Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOAT1 | P35610 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 9/20 | 0.34 |
| ▸ | GGPS1 | O95749 | 5/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10947726 | 1.00 | SOAT1 (0.42) | SOAT1MEN1FAAHTP53CYP1A2 | |
| SCHEMBL9795 | 0.98 | ALDH1A1 (0.43) | SOAT1MEN1FAAHTP53CYP1A2 | |
| SCHEMBL14321929 | 0.90 | ALDH1A1 (0.45) | SOAT1MEN1FAAHTP53CYP1A2 | |
| SCHEMBL10722958 | 0.83 | SOAT1 (0.43) | SOAT1MEN1FAAHTP53CYP1A2 | |
| SCHEMBL22271556 | 0.83 | SOAT1 (0.43) | SOAT1MEN1FAAHTP53CYP1A2 | |
| SCHEMBL10721246 | 0.83 | SOAT1 (0.43) | SOAT1MEN1FAAHTP53CYP1A2 | |
| SCHEMBL156750 | 0.83 | SOAT1 (0.43) | SOAT1MEN1FAAHTP53CYP1A2 | |
| SCHEMBL3479319 | 0.83 | SOAT1 (0.43) | SOAT1MEN1FAAHTP53CYP1A2 | |
| SCHEMBL19526005 | 0.82 | — | — | |
| SCHEMBL11216421 | 0.81 | TSHR (0.57) | MEN1KMT2AALDH1A1FFAR1CPT2 |
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-20230035690-A1 | MACHINE LEARNING TOOLS AND A PROCESS TO DISCOVER NEW NATURAL PRODUCTS BY LINKING GENOMES AND METABOLOMES IN FUNGI | NORTHWESTERN UNIVERSITY | 2023-02-02 | — | — | US | disclosed |