Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL7354979 | 0.82 | FABP4 (0.36) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL4289710 | 0.76 | CA1 (0.51) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL23846018 | 0.75 | NFKB1 (0.41) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL7448661 | 0.75 | ITGAV (0.59) | ALDH1A1ITGAV | |
| SCHEMBL7352639 | 0.74 | MAPT (0.36) | MAPTEPHX2RAB9A | |
| SCHEMBL7354160 | 0.71 | ITGAV (0.47) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL7354167 | 0.71 | ITGAV (0.47) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1618029 | 0.71 | CA1 (0.46) | CA1CA2NFKB1NFKB2RELA | |
| SCHEMBL31636878 | 0.70 | NFKB1 (0.40) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL17308770 | 0.70 | FABP4 (0.49) | CA1CA2MMP1MMP2MMP9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6214834-B1 | ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS | DUPONT PHARMACEUTICALS COMPANY | 2001-04-10 | — | — | US | disclosed |