Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | PTPRA | P18433 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11468101 | 0.86 | LMNA (0.61) | LMNAALDH1A1CYP1A2TSHRNPC1 | |
| SCHEMBL11830097 | 0.78 | LMNA (0.61) | LMNAALDH1A1CYP1A2TSHRNPC1 | |
| SCHEMBL19468182 | 0.76 | PKM (0.51) | LMNAALDH1A1CYP1A2TSHRNPC1 | |
| SCHEMBL20595673 | 0.76 | LMNA (0.96) | LMNAALDH1A1CYP1A2TSHRNPC1 | |
| SCHEMBL5169143 | 0.76 | ALDH1A1 (0.65) | LMNAALDH1A1CYP1A2TSHRNPC1 | |
| SCHEMBL11741285 | 0.75 | — | — | |
| SCHEMBL6130015 | 0.74 | CYP1A2 (0.63) | LMNAALDH1A1CYP1A2TSHRNPC1 | |
| SCHEMBL11445226 | 0.74 | SMN1; SMN2 (0.57) | LMNAALDH1A1CYP1A2TSHRNPC1 | |
| Bromide SCHEMBL23391499 | 0.74 | LMNA (0.93) | LMNAALDH1A1CYP1A2TSHRNPC1 | |
| Hydrochloric Acid SCHEMBL1770126 | 0.74 | LMNA (1.00) | LMNAALDH1A1CYP1A2TSHRNPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106146487-B | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its preparation method and application | 北京大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106146487-B | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its preparation method and application | 北京大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106146487-A | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its production and use | 北京大学 | 2016-11-23 | — | — | CN | disclosed |
| CN-106146487-A | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its production and use | 北京大学 | 2016-11-23 | — | — | CN | disclosed |