Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MMP2 | P08253 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | MMP8 | P22894 | 2/20 | 0.43 |
| ▸ | MMP14 | P50281 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2169863 | 0.89 | CYP2C19 (0.69) | CYP2C19SMN1; SMN2CA2MEN1KMT2A | |
| SCHEMBL5081897 | 0.83 | NCEH1 (0.50) | CYP2C19SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL2472746 | 0.82 | SRC (0.60) | LMNAMMP2CA2MMP9MMP8 | |
| SCHEMBL10814636 | 0.82 | CYP2C19 (0.62) | CYP2C19SMN1; SMN2CA2MEN1KMT2A | |
| SCHEMBL1902930 | 0.82 | CES2 (0.53) | CYP2C19SMN1; SMN2LMNAMMP2CA2 | |
| SCHEMBL17350200 | 0.80 | TSHR (0.64) | CYP2C19SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL9058387 | 0.78 | MMP2 (0.43) | CYP2C19SMN1; SMN2LMNAMMP2CA2 | |
| SCHEMBL20315397 | 0.78 | SMN1; SMN2 (0.58) | CYP2C19SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL29223361 | 0.78 | CYP2C19 (0.58) | CYP2C19SMN1; SMN2LMNAMMP2CA2 | |
| SCHEMBL28509160 | 0.78 | CYP2C19 (0.68) | CYP2C19SMN1; SMN2CA2BLMCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104744510-B | Alizarin aminophosphonate ester derivatives and synthetic method thereof and application | 广西师范大学 | 2016-08-17 | — | — | CN | claimed |
| CN-104744510-B | Alizarin aminophosphonate ester derivatives and synthetic method thereof and application | 广西师范大学 | 2016-08-17 | — | — | CN | disclosed |
| CN-104926871-A | O,O-dialkyl-alpha-[3-bromo-1-(3-chloro-2-pyridyl)-1H-pyrazole-5-formyl]alkyl methylphosphonate derivative as well as preparation method and application thereof | XIAN MODERN CHEMISTRY RES INST | 2015-09-23 | — | — | CN | disclosed |