Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | CDK9 | P50750 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29602427 | 1.00 | CNR1 (0.33) | CNR1FFAR4S1PR1S1PR3LRRK2 | |
| SCHEMBL24441641 | 0.89 | LOX (0.34) | FFAR4LRRK2LIMK1LIMK2HDAC3 | |
| SCHEMBL28755958 | 0.85 | SLCO1B1 (0.46) | FFAR4ABCB11SLCO1B1 | |
| SCHEMBL29577386 | 0.84 | ABCB11 (0.38) | CNR1FFAR4S1PR1S1PR3ABCB11 | |
| SCHEMBL24439681 | 0.84 | ABCB11 (0.38) | CNR1FFAR4S1PR1S1PR3ABCB11 | |
| SCHEMBL24439595 | 0.83 | NEK2 (0.36) | CNR1FFAR4LRRK2HDAC3CDK9 | |
| SCHEMBL29601754 | 0.83 | NEK2 (0.36) | CNR1FFAR4LRRK2HDAC3CDK9 | |
| SCHEMBL24439734 | 0.83 | KMO (0.36) | — | |
| SCHEMBL29672295 | 0.83 | KMO (0.36) | — | |
| SCHEMBL24439741 | 0.81 | SLCO1B1 (0.39) | FFAR4S1PR1S1PR3ABCB11SLCO1B1 |
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 |