Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 12/20 | 0.53 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24892100 | 0.80 | S1PR1 (0.47) | S1PR1S1PR3NPC1ALDH1A1NFKB1 | |
| SCHEMBL24891909 | 0.79 | S1PR1 (0.55) | S1PR1S1PR3KCNH2NPC1ALDH1A1 | |
| SCHEMBL24891901 | 0.77 | MMP13 (0.54) | S1PR1S1PR3 | |
| SCHEMBL24892340 | 0.76 | S1PR1 (0.68) | S1PR1S1PR3 | |
| SCHEMBL24892341 | 0.70 | S1PR1 (0.65) | S1PR1S1PR3NPC1NFKB1RAB9A | |
| SCHEMBL16605543 | 0.70 | S1PR1 (0.49) | S1PR1S1PR3HRH3KCNH2RAB9A | |
| SCHEMBL13215615 | 0.69 | S1PR1 (1.00) | S1PR1S1PR3 | |
| SCHEMBL13216741 | 0.68 | S1PR1 (0.83) | S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL3036972 | 0.68 | S1PR1 (0.98) | S1PR1S1PR3 | |
| SCHEMBL24891737 | 0.68 | S1PR1 (0.44) | S1PR1S1PR3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023287736-A1 | NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2023-01-19 | — | — | WO | claimed |
| WO-2023287736-A1 | NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2023-01-19 | — | — | WO | disclosed |
| WO-2023287736-A1 | NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2023-01-19 | — | — | WO | disclosed |