Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5190232 | 0.88 | ALDH1A1 (0.61) | ALDH1A1TSHRPOLBKDM4ESIGMAR1 | |
| SCHEMBL3234426 | 0.85 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL29462875 | 0.84 | ALDH1A1 (0.45) | ALDH1A1SIGMAR1 | |
| SCHEMBL11990398 | 0.83 | SIGMAR1 (0.47) | ALDH1A1TSHRNR1H2POLBSIGMAR1 | |
| SCHEMBL1873619 | 0.81 | HDAC8 (0.56) | SIGMAR1 | |
| SCHEMBL1665118 | 0.81 | HDAC8 (0.56) | SIGMAR1 | |
| SCHEMBL24532343 | 0.80 | PDK1 (0.46) | SIGMAR1 | |
| SCHEMBL6132926 | 0.80 | PDK1 (0.46) | SIGMAR1 | |
| SCHEMBL6133192 | 0.80 | PDK1 (0.46) | SIGMAR1 | |
| SCHEMBL4848163 | 0.80 | OPRD1 (0.56) | — |
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-101203511-A | New azetidine derivatives as neurokinin receptor antagonists for the treatment of gastrointestinal diseases | ASTRAZENECA AB (SE) | 2008-06-18 | — | — | CN | disclosed |