Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19540504 | 0.88 | HDAC2 (0.41) | ECE1CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL19540705 | 0.85 | MAPT (0.39) | GPR119CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL29774856 | 0.81 | TGFBR1 (0.40) | CYP1A2POLBCYP3A4CYP2C19ITGA4 | |
| SCHEMBL1298592 | 0.74 | ALDH1A1 (0.38) | ITGA4HDAC8DPP4FAPDPP8 | |
| SCHEMBL5152726 | 0.74 | POLB (0.41) | POLBHDAC1 | |
| SCHEMBL29565864 | 0.73 | LMNA (0.36) | CYP1A2POLBCYP3A4CYP2C19HSD11B1 | |
| SCHEMBL22670584 | 0.73 | LMNA (0.36) | CYP1A2POLBCYP3A4CYP2C19HSD11B1 | |
| SCHEMBL22671985 | 0.73 | LMNA (0.36) | CYP1A2POLBCYP3A4CYP2C19HSD11B1 | |
| SCHEMBL29565667 | 0.73 | LMNA (0.36) | CYP1A2POLBCYP3A4CYP2C19HSD11B1 | |
| SCHEMBL15060429 | 0.72 | STK17B (0.49) | GPR119APPHTR1AADRA2ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017186147-A1 | BENZIMIDAZOLE-LINKED INDOLE COMPOUND ACTING AS NOVEL DIVALENT IAP ANTAGONIST | 南京明德新药研发股份有限公司 | 2017-11-02 | — | — | WO | disclosed |