Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28890813 | 0.79 | BACE1 (0.38) | TDP1LMNAKDM4EMAPTNPC1 | |
| SCHEMBL6804334 | 0.78 | CYP1A1 (0.33) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL585042 | 0.77 | TLR8 (0.36) | — | |
| SCHEMBL433808 | 0.76 | DYRK1A (0.49) | CLK4DYRK1ATDP1LMNAKDM4E | |
| SCHEMBL4266561 | 0.76 | ME2 (0.34) | CLK4TDP1KDM4EMAPTNPC1 | |
| SCHEMBL585273 | 0.75 | MAOA (0.34) | SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL17687649 | 0.75 | DYRK1A (0.42) | CLK4DYRK1ATDP1LMNAKDM4E | |
| Dimethylamine SCHEMBL1861764 | 0.74 | KDM4E (0.38) | TDP1LMNAKDM4EMAPTTP53 | |
| SCHEMBL2325507 | 0.73 | CYP1A2 (0.32) | SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL2948399 | 0.73 | DYRK1A (0.40) | CLK4DYRK1ATDP1LMNAKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107001031-B | Metal organic framework, pharmaceutical preparation and application of pharmaceutical preparation in preparation of drugs | 芝加哥大学 | 2019-11-15 | — | — | CN | disclosed |
| CN-107001031-A | Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy and any combination thereof | 芝加哥大学 | 2017-08-01 | — | — | CN | disclosed |