Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.60 |
| ▸ | CA9 | Q16790 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | LIG1 | P18858 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7119674 | 0.81 | HPGD (0.49) | CA12CA1CA9CYP3A4CYP2A6 | |
| SCHEMBL13990695 | 0.78 | CYP2A6 (0.57) | CYP2A6ADRB2HPGDMAOAMAPT | |
| SCHEMBL3820470 | 0.77 | CYP3A4 (0.57) | CA12CA1CA9CYP3A4CYP2A6 | |
| SCHEMBL6002951 | 0.75 | MAOA (0.50) | CYP3A4CYP2A6ADRB2HPGDTSHR | |
| SCHEMBL10431487 | 0.75 | ADRB2 (0.48) | CYP3A4CYP2A6ADRB2HPGDHSD17B10 | |
| SCHEMBL16470197 | 0.75 | CA12 (0.54) | CA12CA1CA9CYP3A4CYP2A6 | |
| SCHEMBL15473271 | 0.75 | CYP2A6 (0.59) | CYP2A6ADRB2MAOAALDH1A1KDM4E | |
| SCHEMBL8515316 | 0.75 | CA12 (1.00) | CA12CA1CA9CYP3A4CYP2A6 | |
| SCHEMBL29393962 | 0.75 | CA12 (1.00) | CA12CA1CA9CYP3A4CYP2A6 | |
| SCHEMBL8512283 | 0.75 | CA12 (1.00) | CA12CA1CA9CYP3A4CYP2A6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4242196-A1 | METHOD FOR PREPARING DEUTERATED ANTHRACENE COMPOUND, REACTION COMPOSITION, DEUTERATED ANTHRACENE COMPOUND AND COMPOSITION | Lg Chem, Ltd. (KR) | 2023-09-13 | — | — | EP | disclosed |
| EP-0904079-B1 | ANTIDIABETIC AGENTS | MERCK & CO INC (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-0904079-A4 | — | — | 1999-05-06 | — | — | EP | disclosed |
| EP-0904079-A1 | ANTIDIABETIC AGENTS | Merck & Co., Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| US-5859051-A | ACETYLPHENOL DERIVATIVES | MERCK & CO., INC. (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1997027857-A1 | ANTIDIABETIC AGENTS | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |