Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | PLG | P00747 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | PLAT | P00750 | 1/20 | 0.46 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | RXRB | P28702 | 2/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6803029 | 0.83 | CYP2A6 (0.53) | CYP1A2CYP2A6AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL5558051 | 0.83 | ALDH1A1 (0.64) | CYP1A2CYP2A6AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL10975747 | 0.82 | THRA (0.49) | CYP1A2CYP2A6AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL727139 | 0.82 | CES2 (0.52) | CYP2A6ALDH1A1PLAUMAPTNPC1 | |
| SCHEMBL29375279 | 0.82 | CES2 (0.52) | CYP2A6ALDH1A1PLAUMAPTNPC1 | |
| SCHEMBL10600396 | 0.82 | THRA (0.53) | ALDH1A1GRIN2DGRIN2AGRIN2BGRIN2C | |
| SCHEMBL12125696 | 0.81 | LCK (0.56) | CYP1A2CYP2A6AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL10458490 | 0.81 | CYP1A2 (0.52) | CYP1A2CYP2A6AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL10600377 | 0.80 | THRA (0.55) | ALDH1A1GRIN2DGRIN2AGRIN2BGRIN2C | |
| SCHEMBL8152604 | 0.80 | THRA (0.55) | ALDH1A1GRIN2DGRIN2AGRIN2BGRIN2C |
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-2017192304-A1 | ARYLCARBOXAMIDES AND USES THEREOF | INCEPTION 1, INC. (US) | 2017-11-09 | — | — | WO | disclosed |