Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28441324 | 1.00 | AKR1C3 (0.43) | AKR1C3ALDH1A1TSHRAKR1C1AKR1C2 | |
| SCHEMBL28897805 | 0.80 | CA1 (0.42) | AKR1C3ALDH1A1FBP1TRPM8 | |
| SCHEMBL28897803 | 0.80 | CA1 (0.42) | AKR1C3ALDH1A1FBP1TRPM8 | |
| SCHEMBL28449577 | 0.78 | MAPT (0.42) | AKR1C3ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL28449574 | 0.78 | MAPT (0.42) | AKR1C3ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL28449554 | 0.78 | NFE2L2 (0.43) | FBP1MEN1KMT2ALMNA | |
| SCHEMBL28441890 | 0.78 | AKR1C3 (0.46) | AKR1C3ALDH1A1AKR1C1AKR1C2FBP1 | |
| SCHEMBL28441889 | 0.77 | RELA (0.48) | AKR1C3ALDH1A1LMNAGLA | |
| SCHEMBL28897307 | 0.77 | FBP1 (0.46) | AKR1C3ALDH1A1AKR1C1AKR1C2FBP1 | |
| SCHEMBL28441885 | 0.77 | RELA (0.48) | AKR1C3ALDH1A1LMNAGLA |
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-111620798-A | (Z) -beta-iodine-beta-methylthio olefin and synthesis method thereof | 沅江华龙催化科技有限公司 | 2020-09-04 | — | — | CN | disclosed |
| CN-111559971-A | Method for constructing iodoalkenyl thioether from olefin, iodine and dimethyl sulfoxide | 沅江华龙催化科技有限公司 | 2020-08-21 | — | — | CN | disclosed |