Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 7/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL133476 | 0.87 | TSHR (0.48) | TSHR | |
| SCHEMBL7386080 | 0.85 | ABAT (0.57) | ABATMAOBHRH3LOXL2ST14 | |
| SCHEMBL17214615 | 0.83 | ENPP2 (0.50) | MAOBLOXL2NOS3NOS1NOS2 | |
| SCHEMBL4459524 | 0.82 | TAAR1 (0.58) | MAOBLOXL2TAAR1 | |
| SCHEMBL11367135 | 0.81 | TSHR (0.48) | MAOBLOXL2TSHR | |
| SCHEMBL1337544 | 0.80 | AGXT (0.43) | HRH3TSHR | |
| SCHEMBL8750395 | 0.80 | TP53 (0.43) | TAAR1TSHR | |
| SCHEMBL9628682 | 0.79 | TSHR (0.48) | MAOBTSHR | |
| SCHEMBL511274 | 0.79 | MAOB (0.46) | ABATMAOBHRH3PSIP1ST14 | |
| SCHEMBL257780 | 0.78 | AGXT (0.56) | MAOBTAAR1TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021147818-A1 | 5-HT2A RECEPTOR ANTAGONIST AND APPLICATION THEREOF IN TREATING CENTRAL NERVOUS SYSTEM DISEASES | 瀚远医药有限公司 | 2021-07-29 | — | — | WO | disclosed |
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-5962499-A | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| CN-1184423-A | Nodulisporic acid derivatives | MERCK & CO INC (US) | 1998-06-10 | — | — | CN | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |