Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL4837114 | 0.79 | SMN1; SMN2 (0.54) | CTSKSMN1; SMN2ALOX15ALDH1A1 | |
| Water SCHEMBL7733637 | 0.79 | SMN1; SMN2 (0.54) | CTSKSMN1; SMN2ALOX15ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27829084 | 0.77 | SMN1; SMN2 (0.52) | CTSKSMN1; SMN2ALOX15ALDH1A1 | |
| SCHEMBL38953 | 0.77 | SMN1; SMN2 (0.56) | CTSKSMN1; SMN2ALOX15ALDH1A1 | |
| SCHEMBL10892597 | 0.74 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15ALDH1A1 | |
| Hydrochloric Acid SCHEMBL20704047 | 0.74 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27484151 | 0.74 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15ALDH1A1 | |
| Iodide SCHEMBL11830139 | 0.74 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15ALDH1A1 | |
| SCHEMBL29829697 | 0.74 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5218604 | 0.74 | SMN1; SMN2 (0.54) | SMN1; SMN2ALOX15ALDH1A1 |
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-2010053583-A2 | SMALL MOLECULE CD4 MIMETICS AND USES THEREOF | DANA FARBER CANCER INSTITUTE (US) | 2010-05-14 | — | — | WO | disclosed |