Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.37 |
| ▸ | PHGDH | O43175 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21848373 | 0.90 | ALDH1A1 (0.45) | ALDH1A1MAPTPOLBSMN1; SMN2HSD17B10 | |
| SCHEMBL18024076 | 0.89 | SIGMAR1 (0.43) | ALDH1A1MAPTPOLBSMN1; SMN2HSD17B10 | |
| SCHEMBL18024077 | 0.89 | CXCR4 (0.39) | ALDH1A1MAPTPOLBSMN1; SMN2HSD17B10 | |
| SCHEMBL18427338 | 0.82 | CA12 (0.44) | ALDH1A1MAPTPOLBSMN1; SMN2HSD17B10 | |
| SCHEMBL21120551 | 0.82 | SIGMAR1 (0.42) | ALDH1A1MAPTPOLBSMN1; SMN2HSD17B10 | |
| SCHEMBL14385506 | 0.82 | SIGMAR1 (0.47) | SIGMAR1 | |
| SCHEMBL17517722 | 0.82 | SIGMAR1 (0.51) | SIGMAR1 | |
| SCHEMBL27077590 | 0.82 | ALDH1A1 (0.43) | ALDH1A1MAPTPOLBSIGMAR1MEN1 | |
| SCHEMBL18024032 | 0.82 | SIGMAR1 (0.40) | MAPTSIGMAR1 | |
| SCHEMBL18024005 | 0.81 | SIGMAR1 (0.43) | ALDH1A1MAPTPOLBSMN1; SMN2HSD17B10 |
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-2016130968-A1 | BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR | YALE UNIVERSITY (US) | 2016-08-18 | — | — | WO | disclosed |