Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 10/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9990405 | 0.82 | OPRL1 (0.47) | OPRL1OPRM1ADRA2AADRA2BADRA2C | |
| SCHEMBL20703494 | 0.81 | OPRM1 (0.36) | OPRL1OPRM1LMNAPTGS1OPRK1 | |
| SCHEMBL9989391 | 0.79 | OPRL1 (0.47) | OPRL1OPRM1ADRA2AADRA2BADRA2C | |
| SCHEMBL30050137 | 0.78 | OPRL1 (0.50) | OPRL1LMNAPTGS1HSD11B1 | |
| SCHEMBL27160123 | 0.78 | OPRL1 (0.50) | OPRL1LMNAPTGS1HSD11B1 | |
| SCHEMBL9988957 | 0.78 | OPRL1 (0.46) | OPRL1OPRM1ADRA2AADRA2BADRA2C | |
| SCHEMBL20899482 | 0.75 | IDO1 (0.52) | — | |
| SCHEMBL1515554 | 0.75 | HSD11B1 (0.48) | OPRL1OPRM1LMNAHSD11B1OPRD1 | |
| SCHEMBL9987096 | 0.75 | OPRL1 (0.49) | OPRL1OPRM1ADRA2AADRA2BADRA2C | |
| SCHEMBL19814660 | 0.75 | OPRL1 (0.49) | OPRL1OPRM1HSD11B1OPRD1OPRK1 |
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-3694503-B1 | NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-08-02 | — | — | EP | disclosed |
| WO-2019074749-A1 | NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2019-04-18 | — | — | WO | disclosed |