Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL23748422 | 0.85 | LMNA (0.35) | LMNATSHRALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL31663089 | 0.85 | LMNA (0.35) | LMNATSHRALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL31663012 | 0.85 | LMNA (0.35) | LMNATSHRALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL16111697 | 0.81 | GABRA1 (0.32) | CA1CA2CYP3A4 | |
| SCHEMBL19047092 | 0.77 | AR (0.44) | ALDH1A1MAPTKDM4E | |
| SCHEMBL30858726 | 0.77 | GABRA1 (0.34) | LMNASMN1; SMN2MEN1MAPTKMT2A | |
| SCHEMBL27630601 | 0.77 | GABRA1 (0.34) | LMNASMN1; SMN2MEN1MAPTKMT2A | |
| SCHEMBL4456223 | 0.75 | SMN1; SMN2 (0.56) | LMNATSHRALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL31473075 | 0.75 | SMN1; SMN2 (0.56) | LMNATSHRALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL4091682 | 0.75 | LMNA (0.48) | LMNATSHRALDH1A1SMN1; SMN2MEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116789612-A | Method for preparing deuterated 1,2, 3-triazole compound by using acetylene | 海南师范大学 | 2023-09-22 | — | — | CN | disclosed |
| CN-114671816-A | Preparation method of axial chiral aryl triazole compound | 浙江大学 | 2022-06-28 | — | — | CN | disclosed |
| CN-111116551-B | 1-azaspiro [5.5] undecane-3-ones and 1-azaspiro [5.5] undecane-3-ols | 中国医科大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-110172058-B | 7-azaspiro [5.6] dodecane-10-one compound and preparation method and application thereof | 中国医科大学 | 2021-06-04 | — | — | CN | disclosed |
| CN-110172059-B | Dibenzo [ b, e ] aza-6, 11-diketone triazole compound and preparation method and application thereof | 中国医科大学 | 2021-06-04 | — | — | CN | disclosed |
| CN-111116551-A | 1-azaspiro [5.5] undecan-3-ones and 1-azaspiro [5.5] undecan-3-ols | 中国医科大学 | 2020-05-08 | — | — | CN | disclosed |
| CN-110172058-A | 7- azaspiro [5.6] dodecane -10- ketone compounds and preparation method thereof and purposes | 中国医科大学 | 2019-08-27 | — | — | CN | disclosed |