Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.38 |
| ▸ | GSK3B | P49841 | 4/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.38 |
| ▸ | RPS6KA5 | O75582 | 3/20 | 0.38 |
| ▸ | AKT1 | P31749 | 3/20 | 0.38 |
| ▸ | NEK4 | P51957 | 3/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.38 |
| ▸ | PRKG2 | Q13237 | 3/20 | 0.38 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.38 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.38 |
| ▸ | GSK3A | P49840 | 3/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.38 |
| ▸ | PRKCG | P05129 | 2/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7446378 | 1.00 | ALDH1A1 (0.38) | ALDH1A1HPGDNPSR1ROCK1ROCK2 | |
| SCHEMBL7453027 | 0.87 | ALDH1A1 (0.37) | ALDH1A1HPGDNPSR1ROCK1ROCK2 | |
| SCHEMBL7607153 | 0.83 | POLB (0.42) | ALDH1A1HPGDNPSR1ROCK1ROCK2 | |
| SCHEMBL7457294 | 0.83 | POLB (0.42) | ALDH1A1HPGDNPSR1ROCK1ROCK2 | |
| SCHEMBL7452647 | 0.82 | ALDH1A1 (0.36) | ALDH1A1HPGDNPSR1MMP9AAK1 | |
| SCHEMBL7449992 | 0.81 | ALDH1A1 (0.45) | ALDH1A1HPGDNPSR1ROCK1ROCK2 | |
| SCHEMBL7608052 | 0.81 | AAK1 (0.37) | ALDH1A1HPGDNPSR1ROCK1ROCK2 | |
| Hydrochloric Acid SCHEMBL7455276 | 0.81 | ALDH1A1 (0.44) | ALDH1A1HPGDNPSR1ROCK1ROCK2 | |
| Hydrochloric Acid SCHEMBL7595280 | 0.81 | ALDH1A1 (0.44) | ALDH1A1HPGDNPSR1ROCK1ROCK2 | |
| SCHEMBL7609006 | 0.80 | MMP3 (0.42) | ALDH1A1HPGDNPSR1MMP9MMP3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6495699-B2 | ANTIARTHRITIC AGENTS; OSTEOPOROSIS | AGOURON PHARMACEUTICALS INC. | 2002-12-17 | — | — | US | disclosed |
| US-20020019429-A1 | Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use | BENDER STEVEN L (US) | 2002-02-14 | — | — | US | disclosed |
| US-6306892-B1 | ENZYME INHIBITORS HETEROCYCLIC AMIDES | AGOURON PHARMACEUTICALS, INC. | 2001-10-23 | — | — | US | disclosed |
| US-6174915-B1 | FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY | AGOURON PHARMACEUTICALS, INC. | 2001-01-16 | — | — | US | disclosed |
| US-6008243-A | AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES | AGOURON PHARMACEUTICALS, INC. (US) | 1999-12-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020019429-A1 | Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use | MMP9, MMP2, MMP3 | ALDH1A1 733/4885HPGD 245/4885NPSR1 978/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.