Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.46 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | USP2 | O75604 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8812960 | 0.72 | HTR2A (0.34) | HTR2AHTR2CSIGMAR1HTR2BCYP3A4 | |
| SCHEMBL24282934 | 0.68 | HTR2C (0.39) | HTR2AHTR2CSIGMAR1HTR2BTMEM97 | |
| SCHEMBL31059131 | 0.66 | HTR2A (0.54) | HTR2AHTR2CSIGMAR1HTR2BDRD2 | |
| SCHEMBL4882972 | 0.66 | HTR2A (0.54) | HTR2AHTR2CSIGMAR1HTR2BDRD2 | |
| SCHEMBL3169552 | 0.65 | SIGMAR1 (0.44) | HTR2AHTR2CSIGMAR1HTR2BTMEM97 | |
| SCHEMBL11285930 | 0.64 | SIGMAR1 (0.42) | HTR2AHTR2CSIGMAR1HTR2BTMEM97 | |
| SCHEMBL1222161 | 0.64 | HTR2A (0.51) | HTR2AHTR2CDRD2SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL27492472 | 0.64 | SIGMAR1 (0.43) | HTR2AHTR2CSIGMAR1HTR2BTMEM97 | |
| SCHEMBL9196136 | 0.64 | HTR2A (0.81) | HTR2AHTR2CDRD2SLC6A2SLC6A4 | |
| SCHEMBL7678355 | 0.62 | SIGMAR1 (0.42) | HTR2AHTR2CSIGMAR1HTR2BTMEM97 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997011697-A1 | 3-SPIROLACTAM, 3-SPIROAMINO, 3-SPIROLACTONE AND 3-SPIROBENZOPYRAN PIPERIDINES AND PYRROLIDINES PROMOTE RELEASE OF GROWTH HORMONE | MERCK & CO., INC. (US) | 1997-04-03 | — | — | WO | disclosed |