Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17067735 | 0.86 | ATM (0.57) | ATMCYP2A6ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL17067734 | 0.83 | ATM (0.54) | ATMCYP2A6ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL31258396 | 0.82 | ATM (0.53) | ATMCYP2A6ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL31705854 | 0.79 | ATM (0.50) | ATMCYP2A6ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL31704913 | 0.79 | ATM (0.50) | ATMCYP2A6ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL31705294 | 0.79 | ATM (0.50) | ATMCYP2A6ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL24585261 | 0.77 | CNR2 (0.43) | ATMALDH1A1HTTKDM4ECA12 | |
| SCHEMBL14562482 | 0.77 | GAA (0.47) | ALDH1A1HTTKDM4EKMT2APOLB | |
| SCHEMBL56951 | 0.76 | ATM (0.77) | ATMCYP2A6ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL19202431 | 0.76 | LMNA (0.40) | ATMALDH1A1HTTKDM4EMEN1 |
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-109476636-A | Compounds that modulate FXR (NR1H4) | 吉利德科学公司 | 2019-03-15 | — | — | CN | disclosed |