Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6410168 | 0.89 | ESR1 (0.63) | ESR1ESR2MEN1KMT2ASLC6A2 | |
| SCHEMBL1760733 | 0.86 | ESR1 (0.59) | ESR1ESR2SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL8679593 | 0.85 | ESR1 (0.58) | ESR1ESR2MTNR1AMTNR1BTDP1 | |
| Hydrogen Peroxide SCHEMBL9456548 | 0.84 | ESR1 (0.62) | ESR1ESR2SLC6A2SLC6A3SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL7275238 | 0.84 | ESR1 (0.57) | ESR1ESR2SLC6A2SLC6A3SLC6A4 | |
| Hydrochloric Acid SCHEMBL7265520 | 0.82 | ESR1 (0.55) | ESR1ESR2SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL27833227 | 0.81 | ESR1 (0.82) | ESR1ESR2SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL21548166 | 0.81 | ESR1 (0.55) | ESR1ESR2MEN1KMT2ASLC6A2 | |
| SCHEMBL5308356 | 0.81 | CHRNB2 (0.54) | MEN1KMT2ASLC6A2SLC6A3SLC6A4 | |
| SCHEMBL10069067 | 0.81 | ESR1 (0.55) | ESR1ESR2CYP2D6MTNR1AMTNR1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682494-A4 | ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO INC (US) | 2006-11-08 | — | — | EP | disclosed |
| EP-1682494-A1 | ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005044785-A1 | ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2005-05-19 | — | — | WO | disclosed |