Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL8072991 | 0.87 | KCNQ2 (0.46) | KCNQ2PTPN1NPY2RTRPM8 | |
| SCHEMBL11143386 | 0.81 | AKR1B1 (0.55) | AKR1B1CYP1A2CYP2C19PLA2G10PLA2G2A | |
| SCHEMBL2558366 | 0.79 | AKR1B1 (0.55) | AKR1B1RXRARXRBCYP1A2PTGS2 | |
| SCHEMBL29878136 | 0.79 | PTPN1 (0.47) | PTPN1 | |
| SCHEMBL3165408 | 0.79 | PTPN1 (0.47) | PTPN1 | |
| SCHEMBL9566231 | 0.78 | AKR1B1 (0.52) | AKR1B1PTPN1CYP1A2CYP2C19PLA2G10 | |
| SCHEMBL4557746 | 0.77 | AKR1B1 (0.64) | AKR1B1CYP1A2CYP2C19PLA2G10PLA2G2A | |
| Hydrochloric Acid SCHEMBL11413879 | 0.77 | PTPN1 (0.46) | PTPN1 | |
| Water SCHEMBL11327197 | 0.77 | PTPN1 (0.46) | PTPN1 | |
| SCHEMBL8701316 | 0.77 | TSHR (0.57) | AKR1B1PTPN1PLA2G10PLA2G2A |
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-6028080-A | Quinolin-2-(1H)-ones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |
| CN-1211974-A | Quinoline-2-(1H)-ones | MERCK PATENT GMBH (DE) | 1999-03-24 | — | — | CN | disclosed |