Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 2/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.43 |
| ▸ | IL1RN | P18510 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9426107 | 0.85 | PSIP1 (0.56) | HSD11B1CYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL7724605 | 0.85 | PSIP1 (0.56) | HSD11B1CYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL1017290 | 0.82 | TSHR (0.53) | CYP2C19KMT2AALDH1A1F2PRSS1 | |
| SCHEMBL1253808 | 0.82 | TSHR (0.53) | CYP2C19KMT2AALDH1A1F2PRSS1 | |
| SCHEMBL1017292 | 0.82 | TSHR (0.53) | CYP2C19KMT2AALDH1A1F2PRSS1 | |
| SCHEMBL5403648 | 0.81 | CYP2C19 (0.50) | AKR1C3CYP2C19ALDH1A1LMNAAKR1C1 | |
| SCHEMBL28138019 | 0.81 | HSD11B1 (0.41) | HSD11B1CYP2C19MEN1KMT2AALDH1A1 | |
| Isophthalic Acid SCHEMBL1801282 | 0.77 | CA12 (0.50) | KMT2ACA1CA2TSHRHSD17B10 | |
| Isophthalic Acid SCHEMBL9856502 | 0.77 | CA12 (0.50) | KMT2ACA1CA2TSHRHSD17B10 | |
| Isophthalic Acid SCHEMBL27725810 | 0.75 | ANPEP (0.50) | KMT2ACA1CA2HSD17B10MEP1B |
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-106631926-A | Method for selectively compounding aryl methyl sulphone and belta-hydroxy sulphone derivative | 华南理工大学 | 2017-05-10 | — | — | CN | disclosed |