Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8720591 | 0.94 | HTR2C (0.43) | HTR2CPRCPNOS3NOS1NOS2 | |
| SCHEMBL27854455 | 0.76 | NOS3 (0.39) | HTR2CNOS3NOS1NOS2DDB1 | |
| SCHEMBL8720464 | 0.75 | KDM1A (0.41) | KDM1A | |
| SCHEMBL8586016 | 0.74 | PRCP (0.41) | HTR2CPRCPDDB1CRBN | |
| SCHEMBL27792149 | 0.74 | HTR2C (0.36) | HTR2CPRCPDDB1CRBNHTR2A | |
| SCHEMBL27271038 | 0.73 | HSD11B1 (0.38) | HTR2CNOS3NOS1NOS2DDB1 | |
| SCHEMBL8718213 | 0.71 | HTR2C (0.47) | HTR2CDDB1CRBNHSD11B1 | |
| SCHEMBL8718210 | 0.70 | HTR2C (0.46) | HTR2CDDB1CRBNCHRNA7HSD11B1 | |
| SCHEMBL1128179 | 0.70 | HTR2C (0.64) | HTR2CDDB1CRBNHTR2AHTR2B | |
| SCHEMBL29871435 | 0.70 | HTR2C (0.64) | HTR2CDDB1CRBNHTR2AHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0880529-A1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997030056-A1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-08-21 | — | — | WO | disclosed |