Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.62 |
| ▸ | CA2 | P00918 | 4/20 | 0.62 |
| ▸ | CA12 | O43570 | 3/20 | 0.62 |
| ▸ | CA7 | P43166 | 3/20 | 0.62 |
| ▸ | CA9 | Q16790 | 3/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.62 |
| ▸ | XDH | P47989 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8230251 | 0.86 | CA1 (0.67) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2772279 | 0.84 | PKM (0.66) | CA1CA2CA12CA7CA9 | |
| SCHEMBL10946816 | 0.83 | CA1 (0.49) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2774960 | 0.83 | CA1 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL7718912 | 0.83 | ALDH1A1 (0.51) | CA1CA2CA12CA7CA9 | |
| SCHEMBL14760286 | 0.83 | CA1 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL12487744 | 0.81 | MAPT (0.48) | CA1CA2CA12CA7CA9 | |
| SCHEMBL31371201 | 0.81 | MAPT (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL31385484 | 0.81 | NOTUM (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1020427 | 0.81 | MAPT (0.57) | CA1CA2CA12CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113072495-A | Preparation method of intermediate of roxasistat | 上海法默生物科技有限公司 | 2021-07-06 | — | — | CN | disclosed |
| EP-1214306-A1 | LIQUID CRYSTAL COMPOUNDS | Qinetiq Limited (GB) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001021606-A1 | LIQUID CRYSTAL COMPOUNDS | QINETIQ LIMITED (GB) | 2001-03-29 | — | — | WO | disclosed |