Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13757708 | 0.85 | CYP2C19 (0.54) | SMN1; SMN2HTTCYP2C19LMNAPPARG | |
| SCHEMBL13757721 | 0.83 | CYP2C19 (0.49) | SMN1; SMN2HTTCYP2C19LMNAPPARG | |
| SCHEMBL7846867 | 0.82 | CYP2C19 (0.51) | SMN1; SMN2HTTCYP2C19NR1H4LMNA | |
| SCHEMBL7844241 | 0.82 | CYP2C19 (0.51) | SMN1; SMN2HTTCYP2C19NR1H4LMNA | |
| SCHEMBL7328151 | 0.82 | ALDH1A1 (0.57) | SMN1; SMN2HTTCYP2C19LMNAPPARG | |
| SCHEMBL11274520 | 0.81 | GAA (0.54) | SMN1; SMN2HTTCYP2C19LMNAPPARG | |
| SCHEMBL11279104 | 0.81 | ALDH1A1 (0.54) | SMN1; SMN2HTTCYP2C19LMNAPPARG | |
| SCHEMBL3620853 | 0.80 | NR1H4 (0.56) | SMN1; SMN2HTTNR1H4LMNAMEN1 | |
| SCHEMBL10651243 | 0.79 | HTT (0.48) | SMN1; SMN2HTTLMNAPPARGPPARD | |
| SCHEMBL20669301 | 0.79 | PTGDR2 (0.51) | SMN1; SMN2HTTCYP2C19LMNAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4320061-A | ANTISPASMODIC AGENTS | KALI-CHEMIE PHARMA GMBH (DE) | 1982-03-16 | — | — | US | disclosed |
| US-4279905-A | GASTROINTESTINAL DISORDERS | KALI-CHEMIE PHARMA GMBH (DE) | 1981-07-21 | — | — | US | disclosed |