Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL30340515 | 0.88 | ALDH1A1 (0.42) | ALDH1A1LMNAPOLBKDM4EMAPT | |
| SCHEMBL21622907 | 0.88 | ALDH1A1 (0.42) | ALDH1A1LMNAPOLBKDM4EMAPT | |
| SCHEMBL29042855 | 0.69 | TRPA1 (0.55) | ALDH1A1LMNAMAPTL3MBTL1MEN1 | |
| SCHEMBL8604093 | 0.69 | ALDH1A1 (0.41) | ALDH1A1LMNAPOLBMAPTL3MBTL1 | |
| SCHEMBL19303185 | 0.69 | ALDH1A1 (0.37) | ALDH1A1LMNASMN1; SMN2POLBHTT | |
| SCHEMBL24832675 | 0.69 | ERN1 (0.39) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16955594 | 0.68 | ALDH1A1 (0.46) | ALDH1A1LMNAPOLBMAPTL3MBTL1 | |
| Ether SCHEMBL28856080 | 0.67 | KDM4E (0.47) | ALDH1A1LMNASMN1; SMN2POLBKDM4E | |
| SCHEMBL25891673 | 0.67 | ALDH1A1 (0.34) | ALDH1A1LMNAPOLBKDM4EHTT | |
| 1,2-Dichlorobenzene SCHEMBL3934904 | 0.67 | TSHR (0.56) | ALDH1A1LMNAPOLBKDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111886219-B | Immunosuppressant, preparation method and pharmaceutical application thereof | 上海和誉生物医药科技有限公司 | 2023-04-25 | — | — | CN | disclosed |