Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 5/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | HCK | P08631 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20023702 | 1.00 | HTR1B (0.46) | HTR1BDYRK1ACDK9CYP2A6FFAR1 | |
| SCHEMBL2607415 | 0.84 | HTR1B (0.49) | HTR1BDYRK1ACDK9CYP2A6FFAR1 | |
| SCHEMBL12087093 | 0.81 | DYRK1A (0.41) | HTR1BDYRK1ACDK9CYP2A6FFAR1 | |
| SCHEMBL19706940 | 0.81 | HTR1B (0.46) | HTR1BDYRK1ACDK9CYP2A6FFAR1 | |
| SCHEMBL2096771 | 0.81 | HTR1B (0.46) | HTR1BDYRK1ACDK9CYP2A6FFAR1 | |
| SCHEMBL4971307 | 0.81 | HTR1B (0.46) | HTR1BDYRK1ACDK9CYP2A6FFAR1 | |
| SCHEMBL31295594 | 0.81 | UGT2B7 (0.50) | HTR1BDYRK1ACDK9CYP2A6FFAR1 | |
| SCHEMBL16844538 | 0.81 | UGT2B7 (0.50) | HTR1BDYRK1ACDK9CYP2A6FFAR1 | |
| SCHEMBL15039440 | 0.81 | HTR1B (0.46) | HTR1BDYRK1ACDK9CYP2A6FFAR1 | |
| SCHEMBL12261460 | 0.80 | HTR1B (0.48) | HTR1BDYRK1ACDK9CYP2A6FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111518166-B | Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-111518166-A | Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2020-08-11 | — | — | CN | disclosed |