Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.46 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.46 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.46 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | GPR183 | P32249 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5867390 | 0.81 | KDM4E (0.51) | MGLLKDM4ECA1CA2TRPV6 | |
| SCHEMBL5867371 | 0.80 | MGLL (0.53) | MGLLKDM4ECA1CA2TSHR | |
| Tolyl Boronic Acid SCHEMBL27517807 | 0.79 | KDM4E (0.66) | KDM4ECA1CA2TSHRTRPV6 | |
| Trifluoromethylbenzene SCHEMBL28839038 | 0.78 | ALDH1A1 (0.52) | TSHRHDAC3ADAM17HDAC1HDAC2 | |
| SCHEMBL4179 | 0.77 | MGLL (1.00) | MGLLCA1CA2TSHRTRPV6 | |
| SCHEMBL61631 | 0.77 | CYP1A2 (0.54) | CA1CA2TSHRHDAC3ADAM17 | |
| SCHEMBL5840 | 0.77 | KDM4E (1.00) | KDM4ECA1CA2TSHR | |
| Formic Acid SCHEMBL31514292 | 0.75 | CES2 (0.46) | MGLLCA1CA2TRPV6ORAI1 | |
| Methane SCHEMBL28841002 | 0.75 | KDM4E (0.95) | KDM4ECA1CA2TSHR | |
| Hydrochloric Acid SCHEMBL27615734 | 0.75 | CYP1A2 (0.52) | CA1CA2HDAC3ADAM17HDAC1 |
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-7115616-B2 | Pyrimidinone compounds | SMITHKLINE BEECHAM PLC (GB) | 2006-10-03 | — | — | US | disclosed |