Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.55 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24892340 | 0.88 | S1PR1 (0.68) | S1PR1S1PR3KLKB1 | |
| SCHEMBL24891987 | 0.83 | ALDH1A1 (0.50) | S1PR1NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL24892100 | 0.81 | S1PR1 (0.47) | S1PR1S1PR3NPC1RAB9ANFKB1 | |
| SCHEMBL23963298 | 0.81 | SMN1; SMN2 (0.58) | NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL16605269 | 0.79 | S1PR1 (0.47) | S1PR1S1PR3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24891655 | 0.79 | S1PR1 (0.53) | S1PR1S1PR3NPC1RAB9ANFKB1 | |
| SCHEMBL24892341 | 0.78 | S1PR1 (0.65) | S1PR1S1PR3NPC1RAB9ANFKB1 | |
| SCHEMBL24892357 | 0.77 | SMYD3 (0.42) | NPC1RAB9ATP53 | |
| SCHEMBL28898822 | 0.77 | NPC1 (0.73) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL24891901 | 0.77 | MMP13 (0.54) | S1PR1S1PR3MMP13KLKB1 |
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 1 patent. 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 | disclosed |