Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GRM6 | O15303 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29683902 | 1.00 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11137262 | 0.88 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15814236 | 0.86 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1335275 | 0.86 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23089733 | 0.85 | TSHR (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31024688 | 0.85 | LMNA (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21621671 | 0.85 | LMNA (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22833407 | 0.85 | TSHR (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1335494 | 0.85 | GRM6 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL543319 | 0.85 | GRM6 (0.42) | CA12CA1CA2CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110642689-B | 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof | 南通大学 | 2022-06-24 | — | — | CN | claimed |
| CN-110642689-A | 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof | 南通大学 | 2020-01-03 | — | — | CN | claimed |
| CN-110642689-B | 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof | 南通大学 | 2022-06-24 | — | — | CN | disclosed |
| CN-110642689-A | 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof | 南通大学 | 2020-01-03 | — | — | CN | disclosed |