Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL5735107 | 0.83 | ALDH1A1 (0.73) | SIRT6ADRB1ALDH1A1LMNAKCNJ1 | |
| Nitrobenzene SCHEMBL28154194 | 0.80 | ADRB1 (0.53) | SIRT6ADRB1ALDH1A1LMNAKCNJ1 | |
| Nitrobenzene SCHEMBL28216189 | 0.79 | ALDH1A1 (0.56) | SIRT6ALDH1A1LMNAKDM4EMAPT | |
| Nitrobenzene SCHEMBL28861897 | 0.79 | ALDH1A1 (0.55) | SIRT6ALDH1A1LMNAHPGDNPC1 | |
| Nitrobenzene SCHEMBL28859521 | 0.79 | ALDH1A1 (0.55) | SIRT6ALDH1A1LMNAKDM4EMAPT | |
| Nitrobenzene SCHEMBL28788212 | 0.79 | ALDH1A1 (0.55) | SIRT6ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL17805273 | 0.79 | KCNJ1 (0.68) | SIRT6ADRB1ALDH1A1LMNAKCNJ1 | |
| Nitrobenzene SCHEMBL10732350 | 0.78 | ALDH1A1 (0.64) | SIRT6ADRB1ALDH1A1LMNAKCNJ1 | |
| Nitrobenzene SCHEMBL9733832 | 0.77 | ALDH1A1 (0.94) | ALDH1A1LMNATDP1HPGDPOLB | |
| Nitrobenzene SCHEMBL27680483 | 0.77 | ALDH1A1 (0.94) | ALDH1A1LMNATDP1HPGDPOLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110746402-B | 2-N-aryl-4-N-aryl-5-fluoropyrimidine compound and preparation method and application thereof | 温州医科大学 | 2021-01-15 | — | — | CN | disclosed |
| CN-110669038-B | Pyrimidine FGFR4V550LInhibitor, preparation method and application thereof | 温州医科大学 | 2020-10-30 | — | — | CN | disclosed |
| CN-110746402-A | 2-N-aryl-4-N-aryl-5-fluoropyrimidine compound and preparation method and application thereof | 温州医科大学 | 2020-02-04 | — | — | CN | disclosed |
| CN-110669038-A | Pyrimidine FGFR4V550LInhibitor, preparation method and application thereof | 温州医科大学 | 2020-01-10 | — | — | CN | disclosed |
| CN-109111415-A | A kind of dendrobium nobile alcaloid-derivatives, preparation method and medical usage | 安徽中医药大学 | 2019-01-01 | — | — | CN | disclosed |
| CN-106986832-A | Vegfr3 inhibitor | 癌症治疗合作研究中心有限公司 | 2017-07-28 | — | — | CN | disclosed |