Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ATF1 | P18846 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25407703 | 0.81 | CYP1A2 (0.46) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL1424967 | 0.81 | CYP1A2 (0.49) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3095634 | 0.80 | ALDH1A1 (0.48) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL23580468 | 0.80 | KDM4E (0.47) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL29882458 | 0.80 | KDM4E (0.47) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL25136323 | 0.77 | CYP1A2 (0.45) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3099034 | 0.77 | ALDH1A1 (0.44) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL18137642 | 0.74 | CYP1A2 (0.56) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL31498919 | 0.74 | CYP1A2 (0.70) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL25272192 | 0.74 | CYP1A2 (0.47) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021134004-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRODINGER, INC. (US) | 2021-07-01 | — | — | WO | disclosed |