Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3995372 | 0.81 | AKT1 (0.56) | DAOKMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL8089060 | 0.81 | AKT1 (0.56) | DAOKMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL28320635 | 0.81 | RAB9A (0.45) | HPGDSRAB9AKMT2ANPC1MEN1 | |
| SCHEMBL6206226 | 0.76 | HPGDS (0.58) | HPGDSRAB9ADAOKMT2ANPC1 | |
| SCHEMBL6207873 | 0.76 | HPGDS (0.58) | HPGDSRAB9ADAOKMT2ANPC1 | |
| SCHEMBL18734641 | 0.73 | DAO (0.67) | HPGDSRAB9ADAOKMT2ANPC1 | |
| SCHEMBL6206234 | 0.72 | HPGDS (0.58) | HPGDSRAB9ADAOKMT2ANPC1 | |
| SCHEMBL6207880 | 0.72 | HPGDS (0.58) | HPGDSRAB9ADAOKMT2ANPC1 | |
| SCHEMBL9116388 | 0.71 | DAO (0.44) | HPGDSRAB9ADAOKMT2ANPC1 | |
| SCHEMBL1263271 | 0.70 | — | — |
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-107686457-A | A kind of method of the two component reactions synthesis benzene pentadienoic acid ethyl ester compound of 3 thiophenyl 2,4 of ferrous salt catalysis | 浙江农林大学暨阳学院 | 2018-02-13 | — | — | CN | disclosed |