Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 6/20 | 0.42 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13960219 | 0.84 | ACACB (0.46) | ACACBLOXLOXL2ALDH1A1TSHR | |
| SCHEMBL17221104 | 0.83 | LOX (0.47) | ACACBLOXLOXL2ALDH1A1TSHR | |
| SCHEMBL5052543 | 0.81 | LOX (0.49) | ACACBLOXLOXL2ACACACHRNA7 | |
| SCHEMBL10136290 | 0.81 | ACACB (0.44) | ACACBLOXLOXL2ACACASCN5A | |
| SCHEMBL17214693 | 0.81 | LOX (0.55) | ACACBLOXLOXL2ACACACHRNA7 | |
| SCHEMBL23147922 | 0.80 | ACACB (0.40) | ACACBLOXLOXL2SCN5ASCN9A | |
| SCHEMBL31143190 | 0.78 | LOX (0.44) | ACACBLOXLOXL2ALDH1A1TSHR | |
| SCHEMBL17232472 | 0.78 | ACACB (0.46) | ACACBLOXLOXL2ACACASCN5A | |
| SCHEMBL16839488 | 0.76 | LOX (0.47) | ACACBLOXLOXL2ACACASCN5A | |
| SCHEMBL2585954 | 0.76 | LOX (0.61) | ACACBLOXLOXL2ACACASCN5A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2729447-B1 | POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | H LUNDBECK AS (DK) | 2018-05-30 | — | — | EP | disclosed |