Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 12/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP11A1 | P05108 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL10652906 | 0.71 | CYP1A2 (0.40) | ALDH1A1L3MBTL1CYP19A1CYP3A4 | |
| SCHEMBL26344333 | 0.69 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1NSD2LMNACYP19A1 | |
| SCHEMBL19359506 | 0.68 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1NSD2LMNACYP19A1 | |
| Phosphine SCHEMBL28076958 | 0.67 | OPRM1 (0.41) | — | |
| Methyl Alcohol SCHEMBL9437744 | 0.66 | MAPT (0.73) | ALDH1A1L3MBTL1CYP19A1MEN1MAPT | |
| SCHEMBL31316969 | 0.66 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1NSD2LMNACYP19A1 | |
| SCHEMBL23574700 | 0.65 | SLC6A4 (0.38) | KMT2ACYP3A4 | |
| SCHEMBL2997525 | 0.65 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1NSD2LMNACYP19A1 | |
| SCHEMBL2450572 | 0.64 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1NSD2LMNACYP19A1 | |
| SCHEMBL21950083 | 0.64 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1NSD2LMNACYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980353-B | ROR gamma modulators | 领先制药控股公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-105980353-A | ROR gamma modulators | 领先制药CEL模型知识产权公司 | 2016-09-28 | — | — | CN | disclosed |