Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL28103510 | 0.84 | ALDH1A1 (0.50) | PHGDHSMN1; SMN2ALDH1A1MAPTKDM4E | |
| SCHEMBL28103507 | 0.84 | ALDH1A1 (0.50) | PHGDHSMN1; SMN2ALDH1A1MAPTKDM4E | |
| SCHEMBL28103563 | 0.81 | GRM5 (0.53) | SMN1; SMN2ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL28315052 | 0.81 | GRM5 (0.53) | SMN1; SMN2ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL28103551 | 0.80 | CCNA2 (0.52) | SMN1; SMN2ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL28103577 | 0.80 | CCNA2 (0.52) | SMN1; SMN2ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL28103553 | 0.80 | CCNA2 (0.52) | SMN1; SMN2ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL28103865 | 0.79 | PTGS2 (0.43) | SMN1; SMN2PKMALDH1A1MAPTKDM4E | |
| SCHEMBL28103498 | 0.76 | RARG (0.52) | SMN1; SMN2ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL28103548 | 0.76 | GRM5 (0.46) | SMN1; SMN2PKMALDH1A1MAPTKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106146479-A | A kind of effective suppression or the compound killing multiple drug resistant bacteria and preparation method and application | 清华大学 | 2016-11-23 | — | — | CN | disclosed |