Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31491192 | 0.84 | MEN1 (0.60) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL13719437 | 0.84 | MEN1 (0.60) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL2388981 | 0.79 | AKR1C3 (0.50) | ALDH1A1MAPTKDM4EMEN1HPGD | |
| SCHEMBL27512218 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4EMEN1HPGD | |
| SCHEMBL28354012 | 0.77 | KDM4E (0.43) | ALDH1A1MAPTKDM4EMEN1HPGD | |
| SCHEMBL22138518 | 0.76 | HPRT1 (0.46) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL30332794 | 0.75 | TNF (0.50) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL60347 | 0.75 | TNF (0.50) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL31540581 | 0.75 | CYP2A6 (0.50) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL25214715 | 0.75 | MEN1 (0.50) | ALDH1A1MAPTKDM4EMEN1HPGD |
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-114591290-A | Preparation method of substituted benzo [ B ] naphthalene benzene [2, 3-D ] thiophene derivative and derivative | 陕西维世诺新材料有限公司 | 2022-06-07 | — | — | CN | disclosed |