Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.47 |
| ▸ | ACHE | P22303 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | HEXA | P06865 | 1/20 | 0.39 |
| ▸ | HEXB | P07686 | 1/20 | 0.39 |
| ▸ | COMT | P21964 | 1/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28139840 | 0.90 | NPC1 (0.47) | PTGS2ACHETDP1PTGS1CA2 | |
| SCHEMBL7189567 | 0.88 | PTGS2 (0.41) | PTGS2ACHETDP1PTGS1HEXA | |
| SCHEMBL9496386 | 0.86 | COMT (0.46) | PTGS2ACHETDP1PTGS1COMT | |
| SCHEMBL7901498 | 0.86 | PTGS2 (0.40) | PTGS2ACHETDP1PTGS1HEXA | |
| SCHEMBL38650926 | 0.85 | SENP1 (0.43) | PTGS2ACHETDP1PTGS1HEXA | |
| SCHEMBL1263497 | 0.83 | PTGS2 (0.44) | PTGS2ACHETDP1PTGS1HEXA | |
| SCHEMBL28235447 | 0.83 | TDP2 (0.46) | PTGS2ACHETDP1PTGS1HEXA | |
| SCHEMBL3468830 | 0.81 | ACHE (0.50) | PTGS2ACHETDP1PTGS1HEXA | |
| SCHEMBL3869836 | 0.81 | PTGS2 (0.37) | PTGS2ACHETDP1PTGS1HEXA | |
| SCHEMBL21385864 | 0.81 | ACHE (0.61) | PTGS2ACHETDP1HEXAHEXB |
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-2892628-A2 | METAL-ORGANIC FRAMEWORKS | The University of Liverpool (GB) | 2015-07-15 | — | — | EP | disclosed |
| WO-2014033481-A2 | METAL-ORGANIC FRAMEWORKS | THE UNIVERSITY OF LIVERPOOL (GB) | 2014-03-06 | — | — | WO | disclosed |