Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UCHL1 | P09936 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.31 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21352020 | 0.90 | UCHL1 (0.35) | UCHL1ACHEMCHR1POLB | |
| SCHEMBL21352023 | 0.88 | ACHE (0.41) | UCHL1ACHEMAPTTAS1R3TAS1R1 | |
| SCHEMBL20157413 | 0.86 | UCHL1 (0.46) | UCHL1ACHEMAPTCA2SMN1; SMN2 | |
| SCHEMBL20157811 | 0.85 | SRD5A2 (0.36) | UCHL1MAPTCA1CA2CA9 | |
| SCHEMBL20157630 | 0.82 | CNR2 (0.36) | UCHL1MAPTCYP3A4CA1CA2 | |
| SCHEMBL20157420 | 0.82 | CXCR2 (0.36) | UCHL1MAPTCA1CA2CA9 | |
| SCHEMBL21351877 | 0.81 | UCHL1 (0.35) | UCHL1CA1CA2CA9MCHR1 | |
| SCHEMBL20157485 | 0.79 | ALDH1A1 (0.41) | ACHEMAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL20157941 | 0.79 | CA1 (0.33) | UCHL1CA1CA2CA9TAS1R3 | |
| SCHEMBL21354509 | 0.79 | UCHL1 (0.39) | UCHL1MAPTTSHRCA1CA2 |
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-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |