Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.67 |
| ▸ | TOP1 | P11387 | 4/20 | 0.63 |
| ▸ | CYCS | P99999 | 4/20 | 0.62 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.50 |
| ▸ | RHEB | Q15382 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TERT | O14746 | 4/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL29583274 | 0.96 | ABCG2 (0.71) | ABCG2TOP1CYCSENPP2RHEB | |
| SCHEMBL3892703 | 0.96 | ABCG2 (0.71) | ABCG2TOP1CYCSENPP2RHEB | |
| SCHEMBL28131499 | 0.94 | ABCG2 (0.70) | ABCG2TOP1CYCSENPP2RHEB | |
| SCHEMBL30872331 | 0.94 | ABCG2 (0.70) | ABCG2TOP1CYCSENPP2RHEB | |
| SCHEMBL28491269 | 0.94 | ABCG2 (0.70) | ABCG2TOP1CYCSENPP2RHEB | |
| SCHEMBL28463987 | 0.94 | ABCG2 (0.70) | ABCG2TOP1CYCSENPP2RHEB | |
| SCHEMBL28498163 | 0.94 | ABCG2 (0.70) | ABCG2TOP1CYCSENPP2RHEB | |
| Hydrochloric Acid SCHEMBL28130818 | 0.93 | ABCG2 (0.68) | ABCG2TOP1CYCSENPP2RHEB | |
| SCHEMBL25046485 | 0.91 | TOP1 (0.66) | ABCG2TOP1CYCSENPP2KDM4E | |
| SCHEMBL30925006 | 0.91 | TOP1 (0.66) | ABCG2TOP1CYCSENPP2KDM4E |
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-106432366-A | Preparation and application of nano metal-organic framework material PCN-223 based on porphyrin ligand | 哈尔滨理工大学 | 2017-02-22 | — | — | CN | claimed |
| CN-106432366-A | Preparation and application of nano metal-organic framework material PCN-223 based on porphyrin ligand | 哈尔滨理工大学 | 2017-02-22 | — | — | CN | disclosed |