Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 7/20 | 0.35 |
| ▸ | TDO2 | P48775 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16730962 | 0.74 | CYP11B1 (0.47) | TAAR1IDO1CYP11B1CYP11B2 | |
| SCHEMBL3903028 | 0.66 | TAAR1 (0.68) | TAAR1ADRA2CHRH1HTR2AIDO1 | |
| SCHEMBL10586853 | 0.66 | ADRA2C (0.49) | TAAR1ADRA2CHTR2ACYP11B1CYP11B2 | |
| SCHEMBL10587560 | 0.66 | KCNA5 (0.56) | TAAR1ADRA2CIDO1TDO2CYP11B1 | |
| Hydrochloric Acid SCHEMBL23498156 | 0.65 | TAAR1 (0.48) | TAAR1ADRA2CHRH1HTR2AIDO1 | |
| Hydrochloric Acid SCHEMBL29723786 | 0.65 | TAAR1 (0.48) | TAAR1ADRA2CHRH1HTR2AIDO1 | |
| SCHEMBL16730945 | 0.64 | CYP11B1 (0.48) | TAAR1IDO1CYP11B1CYP11B2 | |
| SCHEMBL1868872 | 0.64 | DPP4 (0.68) | TAAR1ADRA2CHRH1HTR2A | |
| SCHEMBL224549 | 0.64 | TAAR1 (0.70) | TAAR1HRH1HTR2A | |
| SCHEMBL3908448 | 0.63 | DPP4 (0.73) | TAAR1ADRA2CHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3068391-B1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | disclosed |