Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NAAA | Q02083 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1405464 | 1.00 | CYP2C19 (0.53) | CYP2C19NAAAHTTCYP19A1EPHX1 | |
| SCHEMBL4679989 | 0.98 | NAAA (0.50) | CYP2C19NAAAHTTCYP19A1EPHX1 | |
| SCHEMBL11547722 | 0.92 | NAAA (0.50) | CYP2C19NAAAHTTCYP19A1EPHX1 | |
| SCHEMBL11547705 | 0.92 | NAAA (0.50) | CYP2C19NAAAHTTCYP19A1EPHX1 | |
| SCHEMBL11546661 | 0.90 | NAAA (0.49) | CYP2C19NAAAHTTCYP19A1EPHX1 | |
| SCHEMBL11546677 | 0.90 | NAAA (0.49) | CYP2C19NAAAHTTCYP19A1EPHX1 | |
| SCHEMBL331246 | 0.88 | TSHR (0.42) | CYP2C19NAAAHTTCYP19A1EPHX1 | |
| SCHEMBL15921260 | 0.88 | — | — | |
| SCHEMBL5829801 | 0.83 | NAAA (0.58) | CYP2C19NAAAHTTCYP19A1EPHX1 | |
| SCHEMBL11802383 | 0.82 | NAAA (0.56) | CYP2C19NAAAHTTCYP19A1EPHX1 |
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-110483338-A | A kind of synthetic method of big ring class inhibitor intermediate cycloheptyl alkyl sulfonyl chloride | SUZHOU HANDE CHUANGHONG BIOCHEMISTRY TECH CO LTD | 2019-11-22 | — | — | CN | disclosed |