Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | CA7 | P43166 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | TTR | P02766 | 3/20 | 0.62 |
| ▸ | LTA4H | P09960 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11015595 | 0.92 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7560864 | 0.90 | CA12 (0.74) | CA12CA1CA2CA7CA9 | |
| Nitrogen SCHEMBL11336114 | 0.89 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11646840 | 0.86 | LTA4H (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9941710 | 0.85 | CA12 (0.81) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2099937 | 0.84 | ALDH1A1 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7455927 | 0.83 | CA12 (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17912857 | 0.83 | CYP1A2 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17912814 | 0.83 | CYP1A2 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7038743 | 0.82 | LTA4H (0.57) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117447441-A | Difluoromethyl reagent and preparation method and application thereof | 深圳大学 | 2024-01-26 | — | — | CN | claimed |
| US-3963753-A | Disubstituted xanthone carboxylic acid compounds | SYNTEX (U.S.A.) INC. (US) | 1976-06-15 | — | — | US | disclosed |