Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CDC42 | P60953 | 1/20 | 0.42 |
| ▸ | RAC1 | P63000 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| Methoxymethane SCHEMBL10539878 | 1.00 | AKR1C3 (0.42) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL9868774 | 0.99 | AKR1C3 (0.43) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL9868769 | 0.99 | AKR1C3 (0.43) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL9868760 | 0.99 | AKR1C3 (0.43) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL9867894 | 0.85 | SLC6A4 (0.43) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL9867902 | 0.85 | SLC6A4 (0.43) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL9867877 | 0.85 | SLC6A4 (0.43) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL9116873 | 0.84 | AKR1C3 (0.58) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL4380166 | 0.84 | AKR1C3 (0.58) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL4380164 | 0.84 | AKR1C3 (0.58) | AKR1C3AKR1C2PTGS2PTGS1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4888433-A | CHIRAL HALOGENATED KETALS WHICH UNDERGO STEREOSELECTIVE REARRANGEMENT | ZAMBON, S.P.A. (IT) | 1989-12-19 | — | — | US | disclosed |