Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 9/20 | 0.47 |
| ▸ | CA2 | P00918 | 9/20 | 0.47 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 6/20 | 0.46 |
| ▸ | CA9 | Q16790 | 6/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13683815 | 0.96 | CA1 (0.48) | MGLLMAOAMAOBTDP1CA1 | |
| SCHEMBL7110040 | 0.88 | MAOA (0.57) | MAOAMAOBTDP1CA1CA2 | |
| SCHEMBL2329987 | 0.86 | MGLL (0.51) | MGLLTDP1CA1CA2CA12 | |
| SCHEMBL21997301 | 0.85 | MGLL (0.51) | MGLLTDP1CA1CA2CA12 | |
| SCHEMBL3274015 | 0.84 | EPHX2 (0.58) | CA1CA2EPHX2HDAC1 | |
| SCHEMBL16151782 | 0.83 | MAOA (0.56) | MAOAMAOBTDP1CA1CA12 | |
| SCHEMBL28223322 | 0.82 | MGLL (0.53) | MGLLMAOAMAOBTDP1CA1 | |
| SCHEMBL3707469 | 0.82 | CHRM2 (0.54) | MAOAMAOBTDP1CA1CA2 | |
| SCHEMBL1067107 | 0.82 | CA2 (0.52) | MGLLTDP1CA1CA2CA12 | |
| SCHEMBL13426175 | 0.82 | ATM (0.55) | MAOAMAOBTDP1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008153967-A1 | BK1 ANTAGONIST CONJUGATES | CONTEC THERAPEUTICS, INC. (US) | 2008-12-18 | — | — | WO | disclosed |