Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | IAPP | P10997 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19438660 | 0.84 | MPO (0.54) | CES2CES1FFAR1FFAR4TAAR1 | |
| SCHEMBL4714927 | 0.84 | FFAR1 (0.59) | CES2CES1FFAR1FFAR4KDM4E | |
| SCHEMBL3937102 | 0.83 | FFAR1 (0.40) | CES2CES1FFAR1FFAR4TAAR1 | |
| SCHEMBL4717563 | 0.83 | TAAR1 (0.42) | CES2CES1FFAR1FFAR4TAAR1 | |
| SCHEMBL6158818 | 0.83 | ALDH1A1 (0.50) | CES2CES1FFAR1FFAR4TAAR1 | |
| SCHEMBL28805647 | 0.80 | CES2 (0.40) | CES2CES1FFAR1FFAR4BCHE | |
| SCHEMBL6303011 | 0.78 | MPO (0.39) | CES2CES1FFAR1FFAR4TAAR1 | |
| SCHEMBL8979538 | 0.78 | TP53 (0.51) | GAANPC1KMT2APOLBRAB9A | |
| SCHEMBL7701701 | 0.77 | TAAR1 (0.52) | CES2CES1TAAR1DAOKDM4E | |
| SCHEMBL28159137 | 0.77 | IAPP (0.46) | CES2CES1FFAR4TAAR1MPO |
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-105164113-B | Pyrroloamide inhibitors | 艾伯维公司 | 2018-03-02 | — | — | CN | disclosed |
| CN-104411709-B | Can be used as imidazo [2, the 1] thiazole-3-ketone derivatives of the diagnostic agent of Alzheimer | 霍夫曼-拉罗奇有限公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-105164113-A | Pyrroloamide inhibitors | ABBVIE INC | 2015-12-16 | — | — | CN | disclosed |
| CN-1349514-A | Triazine derivatives having insecticidal activity | SINGENTA PARTICIPATION AG (CH) | 2002-05-15 | — | — | CN | disclosed |