Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | DHODH | Q02127 | 9/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TACR3 | P29371 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27583476 | 0.90 | PDE10A (0.60) | PDE10ATSHRDHODHMAPTTACR3 | |
| SCHEMBL17594006 | 0.86 | DHODH (0.62) | PDE10ATSHRDHODHMAPTLMNA | |
| SCHEMBL18075793 | 0.86 | PDE10A (0.52) | PDE10ATSHRDHODHMAPT | |
| SCHEMBL17594351 | 0.85 | PTGFR (0.53) | ALDH1A1 | |
| SCHEMBL17594300 | 0.84 | PTGFR (0.51) | PDE10ATSHRDHODH | |
| SCHEMBL17594353 | 0.84 | DHODH (0.64) | PDE10ATSHRDHODHLMNAALDH1A1 | |
| SCHEMBL17593891 | 0.84 | PTGFR (0.51) | PDE10ATSHRDHODHALDH1A1CYP2C9 | |
| SCHEMBL17594047 | 0.84 | DHODH (0.64) | PDE10ADHODH | |
| SCHEMBL5497084 | 0.83 | DHODH (0.60) | PDE10ATSHRDHODHTACR3LMNA | |
| SCHEMBL18075863 | 0.83 | PTGFR (0.52) | PDE10ATSHRDHODHMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3271334-A1 | SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2018-01-24 | — | — | EP | disclosed |
| WO-2016146602-A1 | SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-09-22 | — | — | WO | disclosed |