Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 6/20 | 0.68 |
| ▸ | MMP9 | P14780 | 5/20 | 0.68 |
| ▸ | MMP1 | P03956 | 4/20 | 0.68 |
| ▸ | MMP13 | P45452 | 4/20 | 0.68 |
| ▸ | MMP3 | P08254 | 2/20 | 0.68 |
| ▸ | MMP7 | P09237 | 2/20 | 0.68 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.63 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.63 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.63 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 5/20 | 0.57 |
| ▸ | CA12 | O43570 | 4/20 | 0.57 |
| ▸ | CA9 | Q16790 | 4/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.57 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | MMP8 | P22894 | 2/20 | 0.56 |
| ▸ | CA3 | P07451 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5193258 | 1.00 | MMP2 (0.68) | MMP2MMP9MMP1MMP13MMP3 | |
| P-Nitrophenol SCHEMBL7776372 | 0.89 | MMP9 (0.57) | MMP2MMP9MMP1MMP13MMP3 | |
| SCHEMBL6422526 | 0.85 | MMP2 (0.92) | MMP2MMP9MMP1MMP13MMP3 | |
| SCHEMBL6422533 | 0.85 | MMP2 (0.92) | MMP2MMP9MMP1MMP13MMP3 | |
| SCHEMBL26616333 | 0.85 | MMP2 (0.92) | MMP2MMP9MMP1MMP13MMP3 | |
| SCHEMBL8575008 | 0.82 | CA2 (0.65) | MMP2MMP9MMP1MMP13MMP3 | |
| SCHEMBL4428929 | 0.81 | MMP2 (1.00) | MMP2MMP9MMP1MMP13MMP3 | |
| SCHEMBL5190668 | 0.81 | MMP2 (0.64) | MMP2MMP9MMP1MMP13MMP3 | |
| SCHEMBL4428937 | 0.81 | MMP2 (1.00) | MMP2MMP9MMP1MMP13MMP3 | |
| SCHEMBL3599190 | 0.81 | MMP2 (1.00) | MMP2MMP9MMP1MMP13MMP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3846803-A2 | MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS | Achillion Pharmaceuticals, Inc. (US) | 2021-07-14 | — | — | EP | disclosed |
| EP-3717453-A2 | CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF | Ultragenyx Pharmaceutical Inc. (US) | 2020-10-07 | — | — | EP | disclosed |