Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR2B | P41595 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL620266 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL12481820 | 0.82 | ALDH1A1 (0.37) | HTR2ASIGMAR1ALDH1A1HPGDKDM4E | |
| SCHEMBL12695178 | 0.82 | ALDH1A1 (0.39) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| Hydrochloric Acid SCHEMBL3492537 | 0.81 | ALDH1A1 (0.36) | HTR2ASIGMAR1ALDH1A1HPGDKDM4E | |
| SCHEMBL8811089 | 0.72 | HTR2A (0.46) | HTR2ASIGMAR1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL12836259 | 0.71 | SIGMAR1 (0.43) | HTR2ASIGMAR1ALDH1A1HPGDKDM4E | |
| SCHEMBL12482094 | 0.69 | ALDH1A1 (0.38) | HTR2ASIGMAR1ALDH1A1HPGDKDM4E | |
| SCHEMBL9963318 | 0.68 | CYP2D6 (0.42) | HTR2ASIGMAR1ALDH1A1HPGDKDM4E | |
| SCHEMBL6592274 | 0.66 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL471434 | 0.66 | CRBN (0.47) | SIGMAR1ALDH1A1HPGDHSD17B10POLB |
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 |