Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | USP5 | P45974 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9185425 | 0.81 | HTR2A (0.41) | HTR2AHTR2CHTR2BUSP30KDM1A | |
| SCHEMBL12917832 | 0.81 | GRIA4 (0.43) | HTR2AHTR2CHTR2BUSP30KDM1A | |
| SCHEMBL27887265 | 0.79 | ATM (0.38) | HTR2AHTR2CHTR2BKDM1ASLC6A2 | |
| SCHEMBL127034 | 0.79 | ACMSD (0.44) | HTR2AHTR2CHTR2BACMSD | |
| SCHEMBL29389392 | 0.76 | HTR2A (0.46) | HTR2AHTR2CHTR2BUSP30KDM1A | |
| SCHEMBL808710 | 0.76 | HTR2A (0.46) | HTR2AHTR2CHTR2BUSP30KDM1A | |
| SCHEMBL27417610 | 0.76 | HTR3A (0.48) | SLC6A2SLC6A3 | |
| SCHEMBL9184228 | 0.75 | HTR2A (0.37) | HTR2AHTR2CHTR2BUSP30KDM1A | |
| SCHEMBL17186857 | 0.75 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL9184233 | 0.75 | HTR2A (0.37) | HTR2AHTR2CHTR2BUSP30KDM1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0438574-A1 | 2,5-DISUBSTITUTED HETEROCYCLES AND MESOMORPHOUS MEDIUM. | MERCK PATENT GMBH (DE) | 1991-07-31 | — | — | EP | disclosed |
| EP-0438575-A1 | BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM. | MERCK PATENT GMBH (DE) | 1991-07-31 | — | — | EP | disclosed |
| WO-1991002710-A2 | BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-07 | — | — | WO | disclosed |
| WO-1991002780-A1 | 2,5-DISUBSTITUTED HETEROCYCLES AND MESOMORPHOUS MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-07 | — | — | WO | disclosed |