Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.53 |
| ▸ | HTR1D | P28221 | 7/20 | 0.53 |
| ▸ | HTR1B | P28222 | 6/20 | 0.53 |
| ▸ | HTR2B | P41595 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | HTR2A | P28223 | 3/20 | 0.53 |
| ▸ | HTR2C | P28335 | 3/20 | 0.53 |
| ▸ | HTR6 | P50406 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | HTR7 | P34969 | 2/20 | 0.53 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.53 |
| ▸ | HTR3B | O95264 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | HTR1E | P28566 | 1/20 | 0.53 |
| ▸ | HTR1F | P30939 | 1/20 | 0.53 |
| ▸ | HTR3A | P46098 | 1/20 | 0.53 |
| ▸ | HTR5A | P47898 | 1/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11258933 | 0.97 | HTR1D (0.56) | HTR1AHTR1DHTR1BHTR2BCYP2D6 | |
| SCHEMBL1196544 | 0.85 | HTR1A (0.57) | HTR1AHTR1DHTR1BHTR2BCYP2D6 | |
| SCHEMBL1196856 | 0.83 | HTR1D (0.56) | HTR1AHTR1DHTR1BHTR2BCYP2D6 | |
| SCHEMBL1196012 | 0.83 | HTR2A (0.74) | HTR1AHTR1DHTR1BHTR2BCYP2D6 | |
| SCHEMBL12720711 | 0.81 | HTR1B (0.71) | HTR1AHTR1DHTR1BHTR2BCYP2D6 | |
| SCHEMBL8869870 | 0.78 | HTR1A (0.63) | HTR1AHTR1DHTR1BHTR2BCYP2D6 | |
| Iodomethane SCHEMBL11168507 | 0.78 | CYP2D6 (0.51) | HTR1AHTR1DHTR1BHTR2BCYP2D6 | |
| SCHEMBL1195522 | 0.78 | HTR1D (0.49) | HTR1AHTR1DHTR1BHTR2BCYP2D6 | |
| SCHEMBL5648586 | 0.78 | HTR1D (0.78) | HTR1AHTR1DHTR1BCYP2D6HTR6 | |
| SCHEMBL3029742 | 0.77 | HTR1D (0.58) | HTR1AHTR1DHTR1BHTR2BCYP2D6 |
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-0008658-B1 | ALPHA-ETHINYL-ALPHA-AMINOACIDS AND THEIR ESTERS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1982-12-01 | — | — | EP | disclosed |
| EP-0008658-A1 | Alpha-ethinyl-alpha-aminoacids and their esters, and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1980-03-19 | — | — | EP | disclosed |