Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8031356 | 0.85 | ALDH1A1 (0.32) | AKR1C3AKR1C2PTGS2PTGS1TAS2R14 | |
| SCHEMBL1633725 | 0.77 | RXRB (0.46) | AKR1C3AKR1C2PTGS2PTGS1TAS2R14 | |
| SCHEMBL4070485 | 0.77 | KEAP1 (0.48) | MCL1POLBCA12CA1CA2 | |
| SCHEMBL8495058 | 0.76 | CSNK2A1 (0.53) | MCL1POLBCA12CA1CA2 | |
| SCHEMBL8041947 | 0.74 | THRA (0.32) | — | |
| SCHEMBL10453980 | 0.74 | AR (0.49) | PTGS2MCL1POLBCA12CA1 | |
| SCHEMBL22628276 | 0.74 | AKR1C2 (0.44) | AKR1C3AKR1C2PTGS2PTGS1TAS2R14 | |
| SCHEMBL2348838 | 0.74 | PTGS2 (0.44) | AKR1C3AKR1C2PTGS2PTGS1TAS2R14 | |
| SCHEMBL3198739 | 0.73 | PTPRC (0.50) | MCL1POLBKDM4E | |
| SCHEMBL2342293 | 0.73 | TSHR (0.57) | AKR1C3AKR1C2PTGS2PTGS1TAS2R14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6140528-A | ALKYL PENTAFLUOROSULFANYL-SUBSTITUTED-BENZOATES | RHONE-POULENC AGRICULTURE LTD (GB) | 2000-10-31 | — | — | US | disclosed |
| US-6013805-A | USED AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD (GB) | 2000-01-11 | — | — | US | disclosed |
| US-5849928-A | Herbicidal isoxazole and 2-cyano-1,3-dione compounds | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1998-12-15 | — | — | US | disclosed |