Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9797964 | 0.83 | CYP11B1 (0.39) | PTGS2CYP11B2CYP11B1MAOBGPR84 | |
| SCHEMBL6907784 | 0.82 | PTGS2 (0.37) | PTGS2CYP11B2CYP11B1TRPA1MAOA | |
| SCHEMBL12797023 | 0.80 | TSHR (0.35) | PTGS2CYP11B2CYP11B1MAOAMAOB | |
| SCHEMBL7034657 | 0.80 | PTGS2 (0.36) | PTGS2CYP11B2CYP11B1TRPA1MAOA | |
| SCHEMBL7031079 | 0.79 | PTGS2 (0.35) | PTGS2CYP11B2CYP11B1TRPA1MAOA | |
| SCHEMBL8031056 | 0.78 | PTGS2 (0.53) | PTGS2CYP11B2CYP11B1TRPA1MAOA | |
| SCHEMBL7196319 | 0.77 | ACHE (0.35) | PTGS2CYP11B2CYP11B1ACHE | |
| SCHEMBL6908479 | 0.75 | PTGS2 (0.33) | PTGS2CYP11B2CYP11B1ACHE | |
| SCHEMBL7202063 | 0.75 | PTGS2 (0.35) | PTGS2CYP11B2CYP11B1TRPA1MAOA | |
| SCHEMBL6907494 | 0.74 | PTGS2 (0.41) | PTGS2CYP11B2CYP11B1TRPA1MAOA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | disclosed |
| US-5366984-A | Fungicides, insecticides | BASF AKTIENGESELLSCHAFT (DE) | 1994-11-22 | — | — | US | disclosed |
| US-5294628-A | Fungicides, insecticides, pesticides | BASF AKTIENGESELLSCHAFT (DE) | 1994-03-15 | — | — | US | disclosed |
| EP-0378755-B1 | Heterocyclically substituted alpha-aryl acryl acid methyl esters and their use | BASF AG (DE) | 1993-12-29 | — | — | EP | disclosed |
| US-5250553-A | Fungicides; pesticides | BASF AKTIENGESELLSCHAFT (DE) | 1993-10-05 | — | — | US | disclosed |
| US-5166216-A | Fungicides, pesticides, insecticides | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-24 | — | — | US | disclosed |