Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | CCR8 | P51685 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.32 |
| ▸ | COPS5 | Q92905 | 2/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | GPR65 | Q8IYL9 | 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 | |
|---|---|---|---|---|
| SCHEMBL21161090 | 0.78 | ALOX5AP (0.33) | — | |
| SCHEMBL24619705 | 0.77 | CCR1 (0.43) | CCR1CCR5CCR8CYP2A6CYP1A2 | |
| SCHEMBL24482811 | 0.77 | CCR1 (0.50) | CCR1CCR5CCR8CYP2A6CYP1A2 | |
| SCHEMBL24619702 | 0.74 | CCR1 (0.41) | CCR1CCR5CCR8CYP2A6CYP1A2 | |
| SCHEMBL22509683 | 0.74 | BACE1 (0.48) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL24619662 | 0.74 | CCR1 (0.41) | CCR1CCR5CCR8CYP2A6CYP1A2 | |
| SCHEMBL15077050 | 0.74 | AR (0.40) | CCR1CCR5CCR8PDE10ATDP1 | |
| SCHEMBL20049057 | 0.72 | NOS3 (0.37) | NOS3NOS1NOS2CYP1A2 | |
| SCHEMBL4585312 | 0.71 | CCR1 (0.43) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL12190549 | 0.69 | PDE2A (0.40) | NOS3NOS1NOS2PDE2APDE10A |
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 |
|---|---|---|---|---|---|---|---|
| US-10450306-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2019-10-22 | — | — | US | disclosed |
| US-20180099957-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-04-12 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10450306-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | GPBAR1, SLC10A1, NR1H4 | NOS3 1811/4885NOS1 2806/4885NOS2 2315/4885 |
| US-20180099957-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | GPBAR1, SLC10A1, NR1H4 | NOS3 1811/4885NOS1 2806/4885NOS2 2315/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.