Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL30062302 | 0.83 | P2RX7 (0.67) | P2RX7ACP3CNR2IDO1TDO2 | |
| SCHEMBL213827 | 0.83 | P2RX7 (0.67) | P2RX7ACP3CNR2IDO1TDO2 | |
| SCHEMBL30705308 | 0.82 | P2RX7 (0.50) | P2RX7ACP3CNR2IDO1TDO2 | |
| SCHEMBL9242031 | 0.82 | P2RX7 (0.50) | P2RX7ACP3CNR2IDO1TDO2 | |
| Ammonia Solution, Strong SCHEMBL27704288 | 0.81 | P2RX7 (0.65) | P2RX7ACP3CNR2IDO1TDO2 | |
| SCHEMBL3881807 | 0.80 | P2RX7 (0.48) | P2RX7ACP3CNR2IDO1TDO2 | |
| SCHEMBL5364419 | 0.76 | IDO1 (0.37) | P2RX7IDO1TDO2ALDH1A1OPRL1 | |
| SCHEMBL841045 | 0.76 | IDO1 (0.37) | P2RX7CNR2IDO1TDO2ALDH1A1 | |
| SCHEMBL7011754 | 0.76 | ACP3 (0.49) | P2RX7ACP3CNR2IDO1TDO2 | |
| SCHEMBL700063 | 0.75 | P2RX7 (0.44) | P2RX7ACP3CNR2IDO1TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119118998-A | Preparation method of CETP inhibitor Obicetrapib (AMG-899) | 上海相辉医药科技有限公司 | 2024-12-13 | — | — | CN | claimed |
| CN-119118998-A | Preparation method of CETP inhibitor Obicetrapib (AMG-899) | 上海相辉医药科技有限公司 | 2024-12-13 | — | — | CN | disclosed |
| CN-108697091-A | Molecule and relative intermediate, composition and method with desinsection effectiveness | 美国陶氏益农公司 | 2018-10-23 | — | — | CN | disclosed |
| EP-3102198-A1 | ANTIDIABETIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015119899-A1 | ANTIDIABETIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-08-13 | — | — | WO | disclosed |
| US-5629347-A | TACHYKININ ANTAGONIST USED IN TREATMENT OF INFLAMMATION, MIGRAINE, POSTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 1997-05-13 | — | — | US | disclosed |
| EP-0593557-B1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | disclosed |
| EP-0522808-A2 | Aromatic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1993-01-13 | — | — | EP | disclosed |