Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PDE9A | O76083 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL121522 | 0.82 | SLC6A3 (0.43) | KCNH2SLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL29427096 | 0.82 | SLC6A3 (0.43) | KCNH2SLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL2909934 | 0.81 | SLC6A3 (0.43) | KCNH2SLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL2164875 | 0.80 | TSHR (0.39) | KCNH2CCR8ALDH1A1CETPTSHR | |
| SCHEMBL30881973 | 0.80 | TSHR (0.39) | KCNH2CCR8ALDH1A1CETPTSHR | |
| SCHEMBL22957679 | 0.78 | ATM (0.42) | KCNH2CCR8ALDH1A1TSHRPOLB | |
| SCHEMBL22957673 | 0.77 | MCL1 (0.49) | KCNH2CCR8ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL8095035 | 0.77 | KCNH2 (0.37) | KCNH2CCR8ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL8088589 | 0.76 | CXCL8 (0.54) | KCNH2CCR8TSHRMAPK1TDP1 | |
| SCHEMBL22957643 | 0.75 | HTT (0.48) | KCNH2CCR8ALDH1A1MAPK1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |