Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11234251 | 0.79 | IDO1 (0.41) | IDO1NOS3NOS1NOS2CYP1A2 | |
| SCHEMBL4127900 | 0.79 | TSHR (0.39) | TSHRIDO1NOS3NOS1NOS2 | |
| SCHEMBL5285515 | 0.76 | EPHX1 (0.41) | TSHREPHX1IDO1NOS3NOS1 | |
| SCHEMBL10679365 | 0.76 | TSHR (0.44) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10566452 | 0.74 | EPHX1 (0.47) | EPHX1CYP2C19POLB | |
| SCHEMBL17251292 | 0.74 | L3MBTL1 (0.42) | TSHREPHX1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7359781 | 0.74 | EPHX1 (0.44) | EPHX1IDO1NOS3NOS1NOS2 | |
| SCHEMBL1615641 | 0.74 | EPHX1 (0.40) | TSHREPHX1IDO1NOS3NOS1 | |
| SCHEMBL9457041 | 0.71 | SLC6A4 (0.42) | EPHX1SLC6A4SLC6A3 | |
| SCHEMBL7120944 | 0.71 | TSHR (0.55) | TSHRIDO1CYP3A4CYP2D6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3475282-A1 | [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR | H. Hoffnabb-La Roche Ag (CH) | 2019-05-01 | — | — | EP | disclosed |
| CN-109348716-A | [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors | 豪夫迈·罗氏有限公司 | 2019-02-15 | — | — | CN | disclosed |
| WO-2017220517-A1 | [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2017-12-28 | — | — | WO | disclosed |
| EP-2346807-A1 | NAPHTHYLACETIC ACIDS | F. Hoffmann-La Roche AG (CH) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010055005-A1 | NAPHTHYLACETIC ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | disclosed |
| EP-0087326-B1 | SUBSTITUTED PYRIMIDIN-2-ONES AND THE SALTS THEREOF | NYCOMED AS (NO) | 1987-05-13 | — | — | EP | disclosed |
| US-4539324-A | ANTICANCER AGENTS | NYEGAARD & CO. A/S (NO) | 1985-09-03 | — | — | US | disclosed |
| EP-0087326-A1 | Substituted pyrimidin-2-ones and the salts thereof | NYCOMED AS (NO) | 1983-08-31 | — | — | EP | disclosed |