Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Apratastat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 known ✓ | P78536 | 19/20 | 0.98 |
| ▸ | MMP13 known ✓ | P45452 | 19/20 | 0.98 |
| ▸ | MMP1 | P03956 | 20/20 | 0.98 |
| ▸ | MMP9 | P14780 | 4/20 | 0.98 |
| ▸ | MMP3 | P08254 | 3/20 | 0.98 |
| ▸ | ADAM10 | O14672 | 2/20 | 0.98 |
| ▸ | ADAM9 | Q13443 | 2/20 | 0.98 |
| ▸ | MMP2 | P08253 | 2/20 | 0.83 |
| ▸ | MMP7 | P09237 | 1/20 | 0.69 |
| ▸ | MMP8 | P22894 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| Apratastat SCHEMBL2834310 | 0.99 | MMP1 (1.00) | MMP1ADAM17MMP13MMP9MMP3 | |
| Apratastat SCHEMBL3946334 | 0.99 | MMP1 (1.00) | MMP1ADAM17MMP13MMP9MMP3 | |
| SCHEMBL3941060 | 0.94 | MMP1 (0.90) | MMP1ADAM17MMP13MMP9MMP3 | |
| Hydrochloric Acid SCHEMBL6507141 | 0.92 | MMP1 (0.98) | MMP1ADAM17MMP13MMP9MMP3 | |
| SCHEMBL3944800 | 0.92 | MMP1 (1.00) | MMP1ADAM17MMP13MMP9MMP3 | |
| SCHEMBL7325140 | 0.92 | MMP1 (0.86) | MMP1ADAM17MMP13MMP9MMP3 | |
| SCHEMBL7325752 | 0.92 | MMP1 (0.86) | MMP1ADAM17MMP13MMP9MMP3 | |
| SCHEMBL3941871 | 0.92 | MMP1 (0.86) | MMP1ADAM17MMP13MMP9MMP3 | |
| SCHEMBL12272230 | 0.92 | MMP1 (0.86) | MMP1ADAM17MMP13MMP9MMP3 | |
| SCHEMBL3945436 | 0.91 | MMP1 (1.00) | MMP1ADAM17MMP13MMP9MMP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1144368-A2 | ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS | American Cyanamid Company (US) | 2001-10-17 | — | — | EP | claimed |
| WO-2000044709-A2 | ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 2000-08-03 | — | — | WO | claimed |
| EP-1144368-A2 | ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS | American Cyanamid Company (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000044709-A2 | ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 2000-08-03 | — | — | WO | disclosed |