Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | CDC42 | P60953 | 1/20 | 0.43 |
| ▸ | RAC1 | P63000 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MMP7 | P09237 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7960349 | 0.82 | PTGS2 (0.57) | PTGS2AKR1C3AKR1C2PTGS1CDC42 | |
| SCHEMBL7959921 | 0.82 | ALDH1A1 (0.48) | MMP1ALDH1A1MMEMAPK1 | |
| SCHEMBL7960070 | 0.80 | GPR88 (0.59) | NPSR1PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL7094318 | 0.80 | LPAR1 (0.48) | NPSR1NPC1ALDH1A1MAPTHPGD | |
| SCHEMBL17488474 | 0.80 | PTGS2 (0.68) | PTGS2AKR1C3AKR1C2PTGS1CDC42 | |
| SCHEMBL6996825 | 0.77 | MEN1 (0.47) | NPSR1AKR1C3AKR1C2MMP9MMP1 | |
| SCHEMBL7960866 | 0.77 | SCN1A (0.41) | PTGS2AKR1C3AKR1C2PTGS1CDC42 | |
| SCHEMBL6996829 | 0.77 | MEN1 (0.47) | NPSR1AKR1C3AKR1C2MMP9MMP1 | |
| SCHEMBL7960618 | 0.75 | SCN1A (0.41) | PTGS2AKR1C3AKR1C2PTGS1CDC42 | |
| SCHEMBL7950150 | 0.74 | AKR1C3 (0.40) | PTGS2AKR1C3AKR1C2PTGS1CDC42 |
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 |