Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNG | P07510 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL306113 | 0.93 | — | — | |
| SCHEMBL29421562 | 0.93 | — | — | |
| Fluoride SCHEMBL27656662 | 0.91 | ALDH1A1 (0.40) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL3138385 | 0.91 | ALDH1A1 (0.40) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| Ammonia Solution, Strong SCHEMBL28164484 | 0.91 | ALDH1A1 (0.40) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| Formic Acid SCHEMBL28032861 | 0.81 | ALDH1A1 (0.39) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL29468034 | 0.76 | TNKS2 (0.43) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL22778153 | 0.76 | TNKS2 (0.43) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL257139 | 0.73 | — | — | |
| SCHEMBL1492581 | 0.71 | ALDH1A1 (0.40) | ALDH1A1MAPTNPC1RAB9AMEN1 |
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-105209444-A | Benzo-fused heterocyclic derivatives useful as agonists of GPR120 | JANSSEN PHARMACEUTICA NV | 2015-12-30 | — | — | CN | disclosed |