Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21718934 | 0.83 | CCR1 (0.37) | CYP3A4TSHRCYP2C19CCR1CCR5 | |
| SCHEMBL27469325 | 0.78 | NOS3 (0.43) | CYP3A4TSHRCYP2C19CCR1CCR5 | |
| SCHEMBL21603386 | 0.76 | NOS2 (0.52) | CYP3A4TSHRCYP2C19CCR1CCR5 | |
| SCHEMBL25700670 | 0.76 | CCR1 (0.34) | CYP3A4TSHRCYP2C19CCR1CCR5 | |
| SCHEMBL30816293 | 0.71 | NOS3 (0.50) | CYP3A4TSHRCYP2C19NOS3NOS2 | |
| SCHEMBL130124 | 0.71 | NOS3 (0.50) | CYP3A4TSHRCYP2C19NOS3NOS2 | |
| SCHEMBL21603401 | 0.69 | ALDH1A1 (0.44) | CYP3A4TSHRCYP2C19MEN1MAPT | |
| SCHEMBL12896120 | 0.69 | — | — | |
| SCHEMBL3725494 | 0.69 | — | — | |
| SCHEMBL22304455 | 0.68 | NOS3 (0.38) | CYP3A4TSHRCYP2C19NOS3NOS2 |
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-4328229-A2 | SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | Genfleet Therapeutics (Shanghai) Inc. (CN) | 2024-02-28 | — | — | EP | disclosed |
| WO-2021083167-A1 | SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2021-05-06 | — | — | WO | disclosed |