Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7092978 | 1.00 | AKR1C3 (0.48) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL7094138 | 0.90 | PTGS2 (0.44) | AKR1C3AKR1C2AKR1C1PTGS2PTGS1 | |
| SCHEMBL7093579 | 0.90 | PTGS2 (0.44) | AKR1C3AKR1C2AKR1C1PTGS2PTGS1 | |
| SCHEMBL7092171 | 0.89 | PTGS2 (0.49) | AKR1C3AKR1C2AKR1C1PTGS2FAAH | |
| SCHEMBL7092175 | 0.89 | PTGS2 (0.49) | AKR1C3AKR1C2AKR1C1PTGS2FAAH | |
| SCHEMBL9775662 | 0.76 | CES1 (0.46) | CA1CA9 | |
| SCHEMBL9775660 | 0.76 | CES1 (0.46) | CA1CA9 | |
| SCHEMBL13776409 | 0.76 | AKR1C3 (0.57) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL7641541 | 0.76 | AKR1C3 (0.57) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL7641537 | 0.76 | AKR1C3 (0.57) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 |
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-2003084935-A2 | DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2003-10-16 | — | — | WO | disclosed |