Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 5/20 | 0.33 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL334274 | 0.81 | TRPA1 (0.56) | PTGS1TRPA1CACNA1CACHEBCHE | |
| SCHEMBL28062444 | 0.77 | HCAR2 (0.40) | PTGS1TSHRALDH1A1CYP3A4PGR | |
| SCHEMBL28062442 | 0.75 | ALDH1A1 (0.40) | PTGS1ACHEBCHETSHRALDH1A1 | |
| SCHEMBL13777889 | 0.74 | LMNA (0.47) | ACHETDP1TSHRALDH1A1MAPT | |
| SCHEMBL31607962 | 0.74 | LMNA (0.47) | ACHETDP1TSHRALDH1A1MAPT | |
| SCHEMBL5613911 | 0.74 | CA12 (0.51) | PTGS1TDP1TSHRALDH1A1MAPT | |
| SCHEMBL29446275 | 0.74 | CA12 (0.51) | PTGS1TDP1TSHRALDH1A1MAPT | |
| SCHEMBL18910941 | 0.73 | CYP2A6 (0.43) | PTGS1TDP1TSHRMAPTLMNA | |
| SCHEMBL27964665 | 0.72 | ALDH1A1 (0.39) | PTGS1ACHETDP1TSHRALDH1A1 | |
| SCHEMBL26352789 | 0.72 | TSHR (0.49) | TSHRALDH1A1MAPTPOLBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103387583-A | Diaryl [a, g] quinolizidine compound, preparation method thereof, pharmaceutical composition, and uses thereof | SHANGHAI INST MATERIA MEDICA | 2013-11-13 | — | — | CN | disclosed |