Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31067707 | 1.00 | CA1 (0.56) | CA1CA2NFKB1CA4AKR1C3 | |
| SCHEMBL3651652 | 1.00 | CA1 (0.56) | CA1CA2NFKB1CA4AKR1C3 | |
| SCHEMBL1552369 | 1.00 | CA1 (0.56) | CA1CA2NFKB1CA4AKR1C3 | |
| Nitrous Acid SCHEMBL4946660 | 0.93 | CA1 (0.50) | CA1CA2NFKB1CA4AKR1C3 | |
| SCHEMBL7913678 | 0.89 | CA1 (0.49) | CA1CA2NFKB1CA4AKR1C3 | |
| SCHEMBL9627381 | 0.86 | MAPT (0.50) | CA1CA2NFKB1CA4AKR1C3 | |
| SCHEMBL4728185 | 0.84 | CA1 (0.55) | CA1CA2NFKB1CA4MAPT | |
| SCHEMBL29263440 | 0.83 | AKR1C3 (0.53) | AKR1C3MAPTGAAALDH1A1SRD5A2 | |
| SCHEMBL4934948 | 0.83 | AKR1C3 (0.46) | CA1CA2NFKB1CA4AKR1C3 | |
| SCHEMBL28498 | 0.82 | CA1 (0.62) | CA1CA2NFKB1CA4MAPT |
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-113929566-B | Preparation method of 5H-dibenzo [ a, d ] cycloheptatriene-5-ketone | 鲁南制药集团股份有限公司 | 2024-06-28 | — | — | CN | disclosed |