Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 5/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 5/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 5/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 5/20 | 0.39 |
| ▸ | ABCC9 | O60706 | 4/20 | 0.39 |
| ▸ | ABCC8 | Q09428 | 4/20 | 0.39 |
| ▸ | KCNJ11 | Q14654 | 4/20 | 0.39 |
| ▸ | KCNJ8 | Q15842 | 4/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL11474520 | 0.81 | CES1 (0.55) | CES1SRCPDK1PDK2PDK3 | |
| SCHEMBL8797871 | 0.75 | CES1 (0.57) | CES1SRCCA2MLYCDPOLB | |
| SCHEMBL11458657 | 0.75 | THRB (0.31) | — | |
| SCHEMBL11475855 | 0.73 | CES1 (0.59) | CES1SRCCA2MLYCDPOLB | |
| SCHEMBL31758199 | 0.73 | CES1 (0.59) | CES1SRCCA2MLYCDPOLB | |
| SCHEMBL8780870 | 0.73 | CES1 (0.64) | CES1SRCPDK1PDK2PDK3 | |
| SCHEMBL27459649 | 0.71 | CES1 (0.61) | CES1SRCPDK1PDK2PDK3 | |
| SCHEMBL498072 | 0.71 | CES1 (0.61) | CES1SRCCA2MLYCDPOLB | |
| SCHEMBL633283 | 0.70 | CES1 (0.67) | CES1SRCPDK1PDK2PDK3 | |
| SCHEMBL11261530 | 0.70 | CES1 (0.67) | CES1SRCMLYCDPOLBACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-4225619-A | BACTERICIDES, FUNGICIDES | BOEHRINGER INGELHEIM GMBH (DE) | 1980-09-30 | — | — | US | disclosed |