Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708663 | 0.86 | ROCK2 (0.44) | ROCK2KCNQ2AOC3ALDH1A1MAPK1 | |
| SCHEMBL21708677 | 0.85 | ROCK2 (0.49) | ROCK2TAS1R3TAS1R1KCNQ2AOC3 | |
| SCHEMBL21708683 | 0.81 | F10 (0.38) | ROCK2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL21656196 | 0.75 | ROCK2 (0.44) | ROCK2TDP1KCNQ2AOC3MAPK1 | |
| SCHEMBL17147285 | 0.74 | PSEN1 (0.50) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL30971004 | 0.73 | ROCK2 (0.49) | ROCK2TDP1AOC3 | |
| SCHEMBL21194013 | 0.73 | ROCK2 (0.49) | ROCK2TDP1AOC3 | |
| SCHEMBL21708755 | 0.72 | KMT2A (0.38) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL21708694 | 0.72 | TAS1R3 (0.37) | TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL499473 | 0.72 | PSEN1 (0.50) | PSEN1PSEN2APH1BNCSTNAPH1A |
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-3609869-A1 | SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF | Bayer Aktiengesellschaft (DE) | 2020-02-19 | — | — | EP | disclosed |