Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | F13A1 | P00488 | 1/20 | 0.42 |
| ▸ | TGM1 | P22735 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25353231 | 0.82 | NPY5R (0.56) | NPY5RCA1CA2MMP1MMP2 | |
| SCHEMBL3695884 | 0.81 | TDP1 (0.48) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL3695886 | 0.81 | TDP1 (0.48) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL2239712 | 0.80 | GSTP1 (0.48) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL2239710 | 0.80 | GSTP1 (0.48) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1646038 | 0.80 | KMT2A (0.48) | NPY5RCA1CA2MMP1MMP2 | |
| SCHEMBL1646035 | 0.80 | KMT2A (0.48) | NPY5RCA1CA2MMP1MMP2 | |
| SCHEMBL7898674 | 0.80 | NPY5R (0.59) | NPY5RCA1CA2MMP1MMP2 | |
| SCHEMBL7525866 | 0.79 | MMP13 (0.48) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1460133 | 0.79 | MMP13 (0.48) | 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-6191273-B1 | 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS | ISIS PHARMACEUTICALS, INC. | 2001-02-20 | — | — | US | disclosed |