Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL906778 | 0.79 | TSHR (0.39) | TSHRALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL27906075 | 0.78 | — | — | |
| SCHEMBL21799 | 0.78 | — | — | |
| SCHEMBL10692856 | 0.76 | TSHR (0.56) | TSHRALDH1A1TDP1CYP3A4MAPT | |
| Water SCHEMBL27972168 | 0.75 | — | — | |
| SCHEMBL28205094 | 0.75 | TSHR (0.53) | TSHRALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL27494430 | 0.75 | TSHR (0.81) | TSHRALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL21555 | 0.75 | — | — | |
| SCHEMBL365120 | 0.75 | — | — | |
| SCHEMBL11086025 | 0.75 | TSHR (0.55) | TSHRALDH1A1TDP1CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102153459-B | Method for preparing 5-chloro-valeryl chloride and adipoyl chloride simultaneously by one-pot method | GENCHEM CHANGZHOU CO LTD | 2013-04-24 | — | — | CN | claimed |
| CN-102153459-B | Method for preparing 5-chloro-valeryl chloride and adipoyl chloride simultaneously by one-pot method | GENCHEM CHANGZHOU CO LTD | 2013-04-24 | — | — | CN | disclosed |