Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.53 |
| ▸ | HTR2B | P41595 | 2/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8095712 | 1.00 | HTR2A (0.53) | HTR2AHTR2CHTR2BMTNR1BMTNR1A | |
| SCHEMBL8102201 | 0.91 | MTNR1B (0.47) | HTR2AHTR2CHTR2BMTNR1BMTNR1A | |
| SCHEMBL8102204 | 0.91 | MTNR1B (0.47) | HTR2AHTR2CHTR2BMTNR1BMTNR1A | |
| SCHEMBL8101946 | 0.85 | SIRT2 (0.45) | HTR2AHTR2CHTR2BMTNR1BMTNR1A | |
| SCHEMBL8101950 | 0.85 | SIRT2 (0.45) | HTR2AHTR2CHTR2BMTNR1BMTNR1A | |
| SCHEMBL8088845 | 0.84 | MTNR1B (0.51) | HTR2AHTR2CHTR2BMTNR1BMTNR1A | |
| SCHEMBL8088842 | 0.84 | MTNR1B (0.51) | HTR2AHTR2CHTR2BMTNR1BMTNR1A | |
| SCHEMBL8088846 | 0.83 | FFAR1 (0.48) | HTR2AHTR2CHTR2BMTNR1BMTNR1A | |
| SCHEMBL8088849 | 0.83 | FFAR1 (0.48) | HTR2AHTR2CHTR2BMTNR1BMTNR1A | |
| SCHEMBL8098501 | 0.83 | MTNR1B (0.52) | HTR2AHTR2CHTR2BMTNR1BMTNR1A |
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-0747346-B1 | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL MYERS SQUIBB CO (US) | 2000-02-16 | — | — | EP | disclosed |
| EP-0747346-A2 | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |