Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28996019 | 0.95 | TSHR (0.62) | TSHRALDH1A1TDP1DNM1THRB | |
| SCHEMBL28996073 | 0.95 | TSHR (0.62) | TSHRALDH1A1TDP1DNM1THRB | |
| SCHEMBL5077004 | 0.88 | TSHR (0.48) | TSHRALDH1A1TDP1DNM1OPRM1 | |
| SCHEMBL9324912 | 0.86 | TSHR (0.50) | TSHRALDH1A1TDP1DNM1THRB | |
| SCHEMBL27477168 | 0.86 | TSHR (0.50) | TSHRALDH1A1TDP1DNM1THRB | |
| SCHEMBL23138492 | 0.85 | OPRM1 (0.50) | TSHRALDH1A1DNM1THRBOPRM1 | |
| SCHEMBL22159948 | 0.85 | OPRM1 (0.50) | TSHRALDH1A1DNM1THRBOPRM1 | |
| SCHEMBL20957489 | 0.85 | OPRM1 (0.50) | TSHRALDH1A1DNM1THRBOPRM1 | |
| SCHEMBL20957477 | 0.85 | OPRM1 (0.50) | TSHRALDH1A1DNM1THRBOPRM1 | |
| SCHEMBL20957520 | 0.85 | OPRM1 (0.50) | TSHRALDH1A1DNM1THRBOPRM1 |
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-115433103-B | Synthesis method of isophorone nitrile | 山东新和成维生素有限公司 | 2023-08-18 | — | — | CN | disclosed |