Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 8/20 | 0.44 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.44 |
| ▸ | SQLE | Q14534 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | F13A1 | P00488 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4243544 | 0.98 | CXCR4 (0.47) | ALDH1A1CXCR4CXCL12SQLEHRH4 | |
| SCHEMBL4740693 | 0.98 | CXCR4 (0.47) | ALDH1A1CXCR4CXCL12SQLEHRH4 | |
| SCHEMBL20540217 | 0.96 | SIGMAR1 (0.48) | ALDH1A1CXCR4CXCL12SQLEHRH4 | |
| SCHEMBL21799618 | 0.96 | SIGMAR1 (0.48) | ALDH1A1CXCR4CXCL12SQLEHRH4 | |
| SCHEMBL10902097 | 0.96 | SIGMAR1 (0.48) | ALDH1A1CXCR4CXCL12SQLEHRH4 | |
| SCHEMBL24383840 | 0.96 | SIGMAR1 (0.48) | ALDH1A1CXCR4CXCL12SQLEHRH4 | |
| SCHEMBL21799729 | 0.96 | SIGMAR1 (0.48) | ALDH1A1CXCR4CXCL12SQLEHRH4 | |
| SCHEMBL21011183 | 0.96 | SIGMAR1 (0.48) | ALDH1A1CXCR4CXCL12SQLEHRH4 | |
| SCHEMBL21799932 | 0.96 | SIGMAR1 (0.48) | ALDH1A1CXCR4CXCL12SQLEHRH4 | |
| SCHEMBL21799945 | 0.96 | SIGMAR1 (0.48) | ALDH1A1CXCR4CXCL12SQLEHRH4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |