Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.73 |
| ▸ | CA1 | P00915 | 3/20 | 0.73 |
| ▸ | CA7 | P43166 | 3/20 | 0.73 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | GSR | P00390 | 2/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1964022 | 0.85 | ALDH1A1 (0.58) | CA2CA1CA7CA13MEN1 | |
| SCHEMBL1355962 | 0.81 | CA1 (0.67) | CA2CA1CA7CA13MEN1 | |
| SCHEMBL11811575 | 0.80 | RAB9A (0.65) | CA2CA1CA7CA13MEN1 | |
| SCHEMBL28496385 | 0.79 | CA1 (0.60) | CA2CA1CA7CA13MEN1 | |
| SCHEMBL9787043 | 0.78 | CA1 (0.64) | CA2CA1CA7CA13MEN1 | |
| SCHEMBL10732327 | 0.78 | FFAR1 (0.57) | CA2CA1CA7CA13MEN1 | |
| SCHEMBL28504230 | 0.77 | CA1 (0.62) | CA2CA1CA7CA13MEN1 | |
| SCHEMBL10874649 | 0.77 | NPC1 (0.65) | CA2CA1CA7CA13MEN1 | |
| SCHEMBL9787308 | 0.77 | CA1 (0.62) | CA2CA1CA7CA13MEN1 | |
| SCHEMBL7637081 | 0.76 | RAB9A (0.68) | CA2CA1CA7CA13MEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112174793-B | Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound | 温州大学 | 2023-03-28 | — | — | CN | disclosed |
| CN-112174793-A | Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound | 温州大学 | 2021-01-05 | — | — | CN | disclosed |
| US-6329421-B1 | PHENYL-SUBSTITUTED BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES; NONSTEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2001-12-11 | — | — | US | disclosed |
| EP-0778834-B1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2000-01-26 | — | — | EP | disclosed |
| EP-0778834-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1997-06-18 | — | — | EP | disclosed |
| US-5521213-A | NONSTEROID ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-05-28 | — | — | US | disclosed |
| WO-1996006840-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1996-03-07 | — | — | WO | disclosed |