Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CDC42 | P60953 | 1/20 | 0.37 |
| ▸ | RAC1 | P63000 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7950150 | 0.90 | AKR1C3 (0.40) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL7960618 | 0.84 | SCN1A (0.41) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL7961961 | 0.82 | MTNR1A (0.35) | GPR88HTT | |
| SCHEMBL7949760 | 0.82 | TAS1R3 (0.44) | AKR1C3AKR1C2TAS1R3TAS1R1GPR88 | |
| SCHEMBL7964623 | 0.82 | GPR88 (0.50) | GPR88GAASMN1; SMN2OPRM1OPRD1 | |
| SCHEMBL7957895 | 0.81 | LPAR1 (0.46) | SMN1; SMN2LMNAMAPTHTT | |
| SCHEMBL7960866 | 0.79 | SCN1A (0.41) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL7961953 | 0.78 | GPR88 (0.37) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL7950132 | 0.78 | GPR88 (0.39) | AKR1C3AKR1C2PTGS1TAS1R3TAS1R1 | |
| SCHEMBL7964621 | 0.76 | MEN1 (0.43) | HPGDHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6172255-B1 | INSECTICIDES; MITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-01-09 | — | — | US | disclosed |
| US-5830826-A | Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides | BAYER AKTIENGESELLSCHAFT (DE) | 1998-11-03 | — | — | US | disclosed |