Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 2/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | CDK9 | P50750 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL29601754 | 1.00 | NEK2 (0.36) | NEK2PLK1NEK1LRRK2HRH4 | |
| SCHEMBL28756107 | 0.85 | SLCO1B1 (0.47) | NEK2PLK1NEK1FFAR4ABCB11 | |
| SCHEMBL29602427 | 0.83 | CNR1 (0.33) | LRRK2HDAC3CDK9HDAC6FFAR4 | |
| SCHEMBL24439682 | 0.83 | CNR1 (0.33) | LRRK2HDAC3CDK9HDAC6FFAR4 | |
| SCHEMBL29517393 | 0.83 | SLCO1B1 (0.40) | NEK2PLK1NEK1FFAR4ABCB11 | |
| SCHEMBL24439594 | 0.83 | SLCO1B1 (0.40) | NEK2PLK1NEK1FFAR4ABCB11 | |
| SCHEMBL24439314 | 0.82 | LPAR1 (0.33) | RIPK1ABCB11SLCO1B1 | |
| SCHEMBL29672126 | 0.82 | LPAR1 (0.33) | RIPK1ABCB11SLCO1B1 | |
| SCHEMBL24439775 | 0.81 | FFAR4 (0.34) | NEK2LRRK2HRH4HDAC3CDK9 | |
| SCHEMBL29602253 | 0.81 | FFAR4 (0.34) | NEK2LRRK2HRH4HDAC3CDK9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022100625-A1 | NITROGEN-SUBSTITUTED AMINOCARBONATE THIOPHENE COMPOUND AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2022-05-19 | — | — | WO | disclosed |
| WO-2022100624-A1 | OXY-SUBSTITUTED AMINOCARBONATE THIOPHENE-BASED COMPOUND AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2022-05-19 | — | — | WO | disclosed |